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Träfflista för sökning "WFRF:(Meyer Franc) "

Sökning: WFRF:(Meyer Franc)

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1.
  • Aaltonen, T., et al. (författare)
  • Combined Forward-Backward Asymmetry Measurements in Top-Antitop Quark Production at the Tevatron
  • 2018
  • Ingår i: Physical Review Letters. - : AMER PHYSICAL SOC. - 0031-9007 .- 1079-7114. ; 120:4
  • Tidskriftsartikel (refereegranskat)abstract
    • The CDF and D0 experiments at the Fermilab Tevatron have measured the asymmetry between yields of forward- and backward-produced top and antitop quarks based on their rapidity difference and the asymmetry between their decay leptons. These measurements use the full data sets collected in proton-antiproton collisions at a center-of-mass energy of root s = 1.96 TeV. We report the results of combinations of the inclusive asymmetries and their differential dependencies on relevant kinematic quantities. The combined inclusive asymmetry is A(FB)(t (t) over bar) = 0.128 +/- 0.025. The combined inclusive and differential asymmetries are consistent with recent standard model predictions.
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2.
  • Aaltonen, T., et al. (författare)
  • Tevatron Run II combination of the effective leptonic electroweak mixing angle
  • 2018
  • Ingår i: Physical Review D. - : AMER PHYSICAL SOC. - 2470-0010 .- 2470-0029. ; 97:11
  • Tidskriftsartikel (refereegranskat)abstract
    • Drell-Yan lepton pairs produced in the process p (p) over bar -> l(+)l(-) + X through an intermediate gamma*/Z boson have an asymmetry in their angular distribution related to the spontaneous symmetry breaking of the electroweak force and the associated mixing of its neutral gauge bosons. The CDF and D0 experiments have measured the effective-leptonic electroweak mixing parameter sin(2) theta(lept)(eff) using electron and muon pairs selected from the full Tevatron proton-antiproton data sets collected in 2001-2011, corresponding to 9-10 fb(-1) of integrated luminosity. The combination of these measurements yields the most precise result from hadron colliders, sin(2)theta(lept)(eff) = 0.23148 +/- 0.00033. This result is consistent with, and approaches in precision, the best measurements from electron-positron colliders. The standard model inference of the on-shell electroweak mixing parameter sin(2) theta(W), or equivalently the W-boson mass M-W, using the ZFITTER software package yields sin(2) theta(W) = 0.22324 +/- 0.00033 or equivalently, M-W = 80.367 +/- 0.017 GeV/c(2).
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3.
  • Abazov, V. M., et al. (författare)
  • B-s(0) lifetime measurement in the CP-odd decay channel B-s(0) -> J/Psi f(0)(980)
  • 2016
  • Ingår i: PHYSICAL REVIEW D. - 2470-0010. ; 94:1
  • Tidskriftsartikel (refereegranskat)abstract
    • The lifetime of the B-s(0) meson is measured in the decay channel B-s(0) -> J/Psi pi(+)pi(-) with 880 <= M pi+pi- <= 1080 MeV/c(2), which is mainly a CP-odd state and dominated by the f(0)(980) resonance. In 10.4 fb(-1) of data collected with the D0 detector in Run II of the Tevatron, the lifetime of the B-s(0) meson is measured to be tau(B-s(0)) = 1.70 +/- 0.14(stat) +/- 0.05(syst) ps. Neglecting CP violation in B-s(0)/(B) over bar (0)(s) mixing, the measurement can be translated into the width of the heavy mass eigenstate of the B-s(0), Gamma(H) = 0.59 +/- 0.05(stat) +/- 0.02(syst) ps(-1).
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4.
  • Abazov, V. M., et al. (författare)
  • Combination of D0 measurements of the top quark mass
  • 2017
  • Ingår i: Physical Review D. - : AMER PHYSICAL SOC. - 2470-0010 .- 2470-0029. ; 95:11
  • Tidskriftsartikel (refereegranskat)abstract
    • We present a combination of measurements of the top quark mass by the D0 experiment in the lepton + jets and dilepton channels. We use all the data collected in Run I (1992-1996) at root s = 1.8 TeV and Run II (2001-2011) at root s = 1.96 TeV of the Tevatron p (p) over bar collider, corresponding to integrated luminosities of 0.1 fb(-1) and 9.7 fb(-1), respectively. The combined result is: m(t) = 174.95 +/- 0.40(stat)+/- 0.64(syst) GeV = 174.95 +/- 0.75 GeV.
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5.
  • Abazov, V. M., et al. (författare)
  • Evidence for a B-s(0)pi(+/-) State
  • 2016
  • Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 117:2
  • Tidskriftsartikel (refereegranskat)abstract
    • We report evidence for a narrow structure, X(5568), in the decay sequence X(5568) -> B-s(0)pi(+/-), B-s(0) -> J/psi phi, J/psi -> mu(+)mu(-), phi -> K+K-. This is evidence for the first instance of a hadronic state with valence quarks of four different flavors. The mass and natural width of this state are measured to be m = 5567.8 +/- 2.9(stat)(-1.9)(+0.9) (syst) MeV/c(2) and Gamma = 21.9 +/- 6.4(stat)(-2.5)(+5.0) (syst) MeV/c(2). If the decay is X(5568) -> B-s*pi(+/-). B-s(0)gamma pi(+/-) with an unseen gamma, m(X(5568)) will be shifted up by m(B-s*) - m(B-s(0)) similar to 49 MeV/c(2). This measurement is based on 10.4 fb(-1) of p (p) over bar collision data at root s = 1.96 TeV collected by the D0 experiment at the Fermilab Tevatron collider.
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6.
  • Abazov, V. M., et al. (författare)
  • Evidence for Simultaneous Production of J/psi and Upsilon Mesons
  • 2016
  • Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 116:8
  • Tidskriftsartikel (refereegranskat)abstract
    • We report evidence for the simultaneous production of J/psi and Upsilon mesons in 8.1 fb(-1) of data collected at root s = 1.96 TeV by the D0 experiment at the Fermilab p (p) over bar Tevatron Collider. Events with these characteristics are expected to be produced predominantly by gluon-gluon interactions. In this analysis, we extract the effective cross section characterizing the initial parton spatial distribution, sigma(eff) = 2.2 +/- 0.7(stat) +/- 0.9(syst) mb.
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7.
  • Abazov, V. M., et al. (författare)
  • Evidence for Z(c)(+/-)(3900) in semi-inclusive decays of b-flavored hadrons
  • 2018
  • Ingår i: Physical Review D. - : AMER PHYSICAL SOC. - 2470-0010 .- 2470-0029. ; 98:5
  • Tidskriftsartikel (refereegranskat)abstract
    • We present evidence for the exotic charged charmoniumlike state Z(c)(+/-)(3900) decaying to J/psi pi(+/-) in semi-inclusive weak decays of b-flavored hadrons. The signal is correlated with a parent J/psi pi(+)pi(-) system in the invariant-mass range 4.2-4.7 GeV that would include the exotic structure Y(4260). The study is based on 10.4 fb(-1) of p (p) over bar collision data collected by the D0 experiment at the Fermilab Tevatron collider.
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8.
  • Abazov, V. M., et al. (författare)
  • Measurement of the direct CP violating charge asymmetry in B-+/- -> mu(+/-)nu D-mu(0) decays
  • 2017
  • Ingår i: Physical Review D. - 2470-0010 .- 2470-0029. ; 95:3
  • Tidskriftsartikel (refereegranskat)abstract
    • We present the first measurement of the CP violating charge asymmetry in B-+/- -> mu(+/-)nu D-mu(0) decays using the full Run II integrated luminosity of 10.4 fb(-1) in proton-antiproton collisions collected with the D0 detector at the Fermilab Tevatron Collider. We measure a difference in the yield of B- and B+ mesons in these decays by fitting the reconstructed invariant mass distributions. This results in an asymmetry of A(mu D0) = [-0.14 +/- 0.20] %, which is consistent with standard model predictions.
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9.
  • Abazov, V. M., et al. (författare)
  • Measurement of the Effective Weak Mixing Angle in p¯p→Z/γ∗→ℓ+ℓ− Events
  • 2018
  • Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 120:24
  • Tidskriftsartikel (refereegranskat)abstract
    • We present a measurement of the effective weak mixing angle parameter sin(2)theta(l)(eff) in p (p) over bar -> Z/gamma* -> mu(+)mu(-) events at a center-of-mass energy of 1.96 TeV, collected by the D0 detector at the Fermilab Tevatron Collider and corresponding to 8.6 fb(-1) of integrated luminosity. The measured value of sin(2)theta(l)(eff)[mu mu] = 0.23016 +/- 0.00064 is further combined with the result from the D0 measurement in p (p) over bar -> Z/gamma* -> e(+)e(-) events, resulting in sin(2)theta(l)(eff)[comb] = 0.23095 +/- 0.00040. This combined result is the most precise measurement from a single experiment at a hadron collider and is the most precise determination using the coupling of the Z/gamma* to light quarks.
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10.
  • Abazov, V. M., et al. (författare)
  • Measurement of the forward-backward asymmetries in the production of Xi and Omega baryons in p(p)over-bar collisions
  • 2016
  • Ingår i: PHYSICAL REVIEW D. - 2470-0010. ; 93:11
  • Tidskriftsartikel (refereegranskat)abstract
    • We measure the forward-backward asymmetries A(FB) of charged Xi and Omega baryons produced in p (p) over bar collisions recorded by the D0 detector at the Fermilab Tevatron collider at root s = 1.96 TeV as a function of the baryon rapidity y. We find that the asymmetries A(FB) for charged Xi and Omega baryons are consistent with zero within statistical uncertainties.
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11.
  • Abazov, V. M., et al. (författare)
  • Measurement of the forward-backward asymmetry of Lambda and (Lambda)over-bar production in p(p)over-bar collisions
  • 2016
  • Ingår i: PHYSICAL REVIEW D. - 2470-0010. ; 93:3
  • Tidskriftsartikel (refereegranskat)abstract
    • We study Lambda and (Lambda) over bar production asymmetries in p (p) over bar -> Lambda((Lambda) over bar )X, p (p) over bar -> J/psi Lambda((Lambda) over bar )X, and p (p) over bar -> mu(+/-)Lambda((Lambda) over bar )X events recorded by the D0 detector at the Fermilab Tevatron collider at root s = 1.96 TeV. We find an excess of Lambda's ((Lambda) over bar 's) produced in the proton (antiproton) direction. This forward-backward asymmetry is measured as a function of rapidity. We confirm that the (Lambda) over bar/Lambda production ratio, measured by several experiments with various targets and a wide range of energies, is a universal function of "rapidity loss," i.e., the rapidity difference of the beam proton and the lambda.
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12.
  • Abazov, V. M., et al. (författare)
  • Measurement of the inclusive t(t)over-bar production cross section in p(p)over-bar collisions at root s=1.96 TeV and determination of the top quark pole mass
  • 2016
  • Ingår i: PHYSICAL REVIEW D. - 2470-0010. ; 94:9
  • Tidskriftsartikel (refereegranskat)abstract
    • The inclusive cross section of top quark-antiquark pairs produced in p (p) over bar collisions at root s = 1.96 TeV is measured in the lepton + jets and dilepton decay channels. The data sample corresponds to 9.7 fb(-1) of integrated luminosity recorded with the D0 detector during Run II of the Fermilab Tevatron Collider. Employing multivariate analysis techniques we measure the cross section in the two decay channels and we perform a combined cross section measurement. For a top quark mass of 172.5 GeV, we measure a combined inclusive top quark-antiquark pair production cross section of sigma(t<(t)over bar) = 7.26 +/- 0.13(stat)(-0.50)(+0.57) (syst) pb which is consistent with standard model predictions. We also perform a likelihood fit to the measured and predicted top quark mass dependence of the inclusive cross section, which yields a measurement of the pole mass of the top quark. The extracted value is m(t) = 172.8 +/- 1.1(theo)(-3.1)(+3.3) (exp) GeV.
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13.
  • Abazov, V. M., et al. (författare)
  • Measurement of the top quark mass using the matrix element technique in dilepton final states
  • 2016
  • Ingår i: PHYSICAL REVIEW D. - 2470-0010. ; 94:3
  • Tidskriftsartikel (refereegranskat)abstract
    • We present a measurement of the top quark mass in p (p) over bar collisions at a center-of-mass energy of 1.96 TeV at the Fermilab Tevatron collider. The data were collected by the D0 experiment corresponding to an integrated luminosity of 9.7 fb(-1). The matrix element technique is applied to t (t) over bar events in the final state containing leptons (electrons or muons) with high transverse momenta and at least two jets. The calibration of the jet energy scale determined in the lepton + jets final state of t (t) over bar decays is applied to jet energies. This correction provides a substantial reduction in systematic uncertainties. We obtain a top quark mass of m(t) = 173.93 +/- 1.84 GeV.
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14.
  • Abazov, V. M., et al. (författare)
  • Measurement of top quark polarization in t(t)over-bar lepton+jets final states
  • 2017
  • Ingår i: PHYSICAL REVIEW D. - 2470-0010. ; 95:1
  • Tidskriftsartikel (refereegranskat)abstract
    • We present a measurement of top quark polarization in t (t) over bar pair production in p (p) over bar collisions at root s = 1.96 TeV using data corresponding to 9.7 fb(-1) of integrated luminosity recorded with the D0 detector at the Fermilab Tevatron Collider. We consider final states containing a lepton and at least three jets. The polarization is measured through the distribution of lepton angles along three axes: the beam axis, the helicity axis, and the transverse axis normal to the t (t) over bar production plane. This is the first measurement of top quark polarization at the Tevatron using lepton + jet final states and the first measurement of the transverse polarization in t (t) over bar production. The observed distributions are consistent with standard model predictions of nearly no polarization.
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15.
  • Abazov, V. M., et al. (författare)
  • Study of double parton interactions in diphoton plus dijet events in p<(p)over bar> collisions at root s = 1.96 TeV
  • 2016
  • Ingår i: PHYSICAL REVIEW D. - 2470-0010. ; 93:5
  • Tidskriftsartikel (refereegranskat)abstract
    • We use a sample of diphoton + dijet events to measure the effective cross section of double parton interactions, which characterizes the area containing the interacting partons in proton-antiproton collisions, and find it to be sigma(eff) = 19.3 +/- 1.4(stat) +/- 7.8(syst) mb. The sample was collected by the D0 detector at the Fermilab Tevatron collider in p (p) over bar collisions at root s = 1.96 TeV and corresponds to an integrated luminosity of 8.7 fb(-1).
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16.
  • Abazov, V. M., et al. (författare)
  • Study of the X-+/-(5568) state with semileptonic decays of the B-s(0) meson
  • 2018
  • Ingår i: Physical Review D. - : AMER PHYSICAL SOC. - 2470-0010 .- 2470-0029. ; 97:9
  • Tidskriftsartikel (refereegranskat)abstract
    • We present a study of the X-+/-(5568) using semileptonic decays of the B-s(0) meson using the full run II integrated luminosity of 10.4 fb(-1) in proton-antiproton collisions at a center of mass energy of 1.96 TeV collected with the DO detector at the Fermilab Tevatron Collider. We report evidence for a narrow structure, X-+/-(5568), in the decay sequence X-+/-(5568) -> B-s(0) pi(+/-) where B-s(0)-> mu(-/+) (DsX)-X-+/-, D-s(+/-)-> phi pi(+/-)which is consistent with the previous measurement by the DO Collaboration in the hadronic decay mode, X-+/-(5568) -> B-s(0)pi(+/-) where B-s(0 )-> J/psi phi. The mass and width of this state are measured using a combined fit of the hadronic and semileptonic data, yielding m = 5566.9(-3.1)(+3.2)(stat)(-1.2)(+0.6)(syst) MeV/c(2), Gamma = 18.6(-6.1)(+7.9)(stat)(-3.8)(+3.5) (syst) McV/c(2) with a significance of 6.7 sigma.
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17.
  • Das, Biswanath, et al. (författare)
  • Catalytic Oxidation of Alkanes and Alkenes by H2O2 with a mu-Oxido Diiron(III) Complex as Catalyst/Catalyst Precursor
  • 2015
  • Ingår i: European Journal of Inorganic Chemistry. - : Wiley. - 1099-0682 .- 1434-1948. ; :21, s. 3590-3601
  • Tidskriftsartikel (refereegranskat)abstract
    • A new mu-oxo diiron(III) complex of the lithium salt of the pyridine-based unsymmetrical ligand 3-[(3-{[bis(pyridin-2-ylmethyl)amino]methyl}-2-hydroxy-5-methylbenzyl)(pyridin2-ylmethyl)amino] propanoate (LiDPCPMPP), [Fe-2(mu-O)(LiDPCPMPP)(2)](ClO4)(2), has been synthesized and characterized. The ability of the complex to catalyze oxidation of several alkanes and alkenes has been investigated by using CH3COOH/H2O2 (1:1) as an oxidative system. Moderate activity in cyclohexane oxidation (TOF = 33 h(-1)) and good activity in cyclohexene oxidation (TOF = 72 h(-1)) were detected. Partial retention of configuration (RC = 53%) in cis- and trans-1,2-dimethylcyclohexane oxidation, moderate 3 degrees/2 degrees selectivity (4.1) in adamantane oxidation, and the observation of a relatively high kinetic isotope effect for cyclohexane oxidation (KIE = 3.27) suggest partial metal-based oxidation, probably in tandem with free-radical oxidation. Low-temperature UV/Vis spectroscopy and mass spectrometric studies in the rapid positive detection mode indicate the formation of a transient peroxido species, [Fe-2(O)(O-2)-(LiDPCPMPP)(2)](2+), which might be an intermediate in the metal-based component of the oxidation process.
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18.
  • Woeckel, Simone, et al. (författare)
  • Zinc Complexes of a Bioinspired Binucleating Ligand Platform - Equilibria in Solution and Structures in the Solid State
  • 2012
  • Ingår i: European Journal of Inorganic Chemistry. - : Wiley. - 1099-0682 .- 1434-1948. ; :29, s. 4728-4738
  • Tidskriftsartikel (refereegranskat)abstract
    • The zinc(II) coordination chemistry of the bioinspired bis(tetradentate) ligand 3,5-bis{bis[2-(1-methylimidazolyl)methyl]aminomethyl}pyrazole (L) was studied in detail both in solution and in the solid state. Six different species were determined in aqueous solution by means of potentiometry within the pH range 211, namely mononuclear [ZnH2L]4+, dinuclear [Zn2L]4+, [Zn2H1L]3+ and [Zn2H2L]2+, as well as tetranuclear [Zn4H5L2]3+ and [Zn4H6L2]2+. Complexes representing the protonation state of four of these species could be isolated and structurally characterized by X-ray diffraction, namely [ZnH2L(MeCN)](ClO4)4 (1), [Zn2H1L](SO3CF3)3 (4), [Zn2H1L(MeOHOMe)](ClO4)2 (5a), [Zn2H1L(OMe)](ClO4)2 (5b), and [(Zn2H1L)2(mu-O)(mu-OH)](ClO4)3 (6). In addition, a bis(pyrazolato)-bridged complex, [(ZnH1L)2](ClO4)2 (2), was obtained and structurally characterized, and it was found to exhibit ligand dynamics in solution. Both 5a and 5b are likely present in solution, which requires significant plasticity of the Zn...Zn distance (4.21 angstrom in 5a vs. 3.38 angstrom in 5b). Interconversion of 5a and 5b is proposed to be a facile process, supporting the idea that the ZnO2H3Zn moiety is a functionally relevant hydrolytic zincaqua structure in oligozinc metalloenzymes. The tetranuclear complex 6 that features two {Zn2H1L} subunits connected by a central mu-oxido-mu-hydroxido moiety is unprecedented in zinc(II) chemistry. Combining X-ray crystallography with potentiometry, ESI mass spectrometry, as well as NMR and EXAFS spectroscopy has provided a comprehensive picture of the multitude of species present in this rather complex system.
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19.
  • Aasi, J., et al. (författare)
  • Einstein@Home all-sky search for periodic gravitational waves in LIGO S5 data
  • 2013
  • Ingår i: Physical Review D (Particles, Fields, Gravitation and Cosmology). - 1550-2368. ; 87:4
  • Tidskriftsartikel (refereegranskat)abstract
    • This paper presents results of an all-sky search for periodic gravitational waves in the frequency range [50, 1190] Hz and with frequency derivative range of similar to[-20, 1.1] x 10(-10) Hz s(-1) for the fifth LIGO science run (S5). The search uses a noncoherent Hough-transform method to combine the information from coherent searches on time scales of about one day. Because these searches are very computationally intensive, they have been carried out with the Einstein@Home volunteer distributed computing project. Postprocessing identifies eight candidate signals; deeper follow-up studies rule them out. Hence, since no gravitational wave signals have been found, we report upper limits on the intrinsic gravitational wave strain amplitude h(0). For example, in the 0.5 Hz-wide band at 152.5 Hz, we can exclude the presence of signals with h(0) greater than 7.6 x 10(-25) at a 90% confidence level. This search is about a factor 3 more sensitive than the previous Einstein@Home search of early S5 LIGO data.
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20.
  • Aasi, J., et al. (författare)
  • Parameter estimation for compact binary coalescence signals with the first generation gravitational-wave detector network
  • 2013
  • Ingår i: Physical Review D (Particles, Fields, Gravitation and Cosmology). - 1550-2368. ; 88:6
  • Tidskriftsartikel (refereegranskat)abstract
    • Compact binary systems with neutron stars or black holes are one of the most promising sources for ground-based gravitational-wave detectors. Gravitational radiation encodes rich information about source physics; thus parameter estimation and model selection are crucial analysis steps for any detection candidate events. Detailed models of the anticipated waveforms enable inference on several parameters, such as component masses, spins, sky location and distance, that are essential for new astrophysical studies of these sources. However, accurate measurements of these parameters and discrimination of models describing the underlying physics are complicated by artifacts in the data, uncertainties in the waveform models and in the calibration of the detectors. Here we report such measurements on a selection of simulated signals added either in hardware or software to the data collected by the two LIGO instruments and the Virgo detector during their most recent joint science run, including a "blind injection'' where the signal was not initially revealed to the collaboration. We exemplify the ability to extract information about the source physics on signals that cover the neutron-star and black-hole binary parameter space over the component mass range 1M(circle dot)-25M(circle dot) and the full range of spin parameters. The cases reported in this study provide a snapshot of the status of parameter estimation in preparation for the operation of advanced detectors.
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21.
  • Aasi, J., et al. (författare)
  • Search for gravitational waves from binary black hole inspiral, merger, and ringdown in LIGO-Virgo data from 2009-2010
  • 2013
  • Ingår i: Physical Review D (Particles, Fields, Gravitation and Cosmology). - 1550-2368. ; 87:2
  • Tidskriftsartikel (refereegranskat)abstract
    • We report a search for gravitational waves from the inspiral, merger and ringdown of binary black holes (BBH) with total mass between 25 and 100 solar masses, in data taken at the LIGO and Virgo observatories between July 7, 2009 and October 20, 2010. The maximum sensitive distance of the detectors over this period for a (20, 20)M-circle dot coalescence was 300 Mpc. No gravitational wave signals were found. We thus report upper limits on the astrophysical coalescence rates of BBH as a function of the component masses for nonspinning components, and also evaluate the dependence of the search sensitivity on component spins aligned with the orbital angular momentum. We find an upper limit at 90% confidence on the coalescence rate of BBH with nonspinning components of mass between 19 and 28M(circle dot) of 3:3 x 10(-7) mergers Mpc(-3) yr(-1).
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22.
  • Aasi, J., et al. (författare)
  • The characterization of Virgo data and its impact on gravitational-wave searches
  • 2012
  • Ingår i: Classical and Quantum Gravity. - : IOP Publishing. - 1361-6382 .- 0264-9381. ; 29:15
  • Tidskriftsartikel (refereegranskat)abstract
    • Between 2007 and 2010 Virgo collected data in coincidence with the LIGO and GEO gravitational-wave (GW) detectors. These data have been searched for GWs emitted by cataclysmic phenomena in the universe, by non-axisymmetric rotating neutron stars or from a stochastic background in the frequency band of the detectors. The sensitivity of GW searches is limited by noise produced by the detector or its environment. It is therefore crucial to characterize the various noise sources in a GW detector. This paper reviews the Virgo detector noise sources, noise propagation, and conversion mechanisms which were identified in the three first Virgo observing runs. In many cases, these investigations allowed us to mitigate noise sources in the detector, or to selectively flag noise events and discard them from the data. We present examples from the joint LIGO-GEO-Virgo GW searches to show how well noise transients and narrow spectral lines have been identified and excluded from the Virgo data. We also discuss how detector characterization can improve the astrophysical reach of GW searches.
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23.
  • Abadie, J., et al. (författare)
  • All-sky search for gravitational-wave bursts in the second joint LIGO-Virgo run
  • 2012
  • Ingår i: Physical Review D (Particles, Fields, Gravitation and Cosmology). - 1550-2368. ; 85:12
  • Tidskriftsartikel (refereegranskat)abstract
    • We present results from a search for gravitational-wave bursts in the data collected by the LIGO and Virgo detectors between July 7, 2009 and October 20, 2010: data are analyzed when at least two of the three LIGO-Virgo detectors are in coincident operation, with a total observation time of 207 days. The analysis searches for transients of duration less than or similar to 1 s over the frequency band 64-5000 Hz, without other assumptions on the signal waveform, polarization, direction or occurrence time. All identified events are consistent with the expected accidental background. We set frequentist upper limits on the rate of gravitational-wave bursts by combining this search with the previous LIGO-Virgo search on the data collected between November 2005 and October 2007. The upper limit on the rate of strong gravitational-wave bursts at the Earth is 1.3 events per year at 90% confidence. We also present upper limits on source rate density per year and Mpc(3) for sample populations of standard-candle sources. As in the previous joint run, typical sensitivities of the search in terms of the root-sum-squared strain amplitude for these waveforms lie in the range similar to 5 x 10(-22) Hz(-1/2) to similar to 1 x 10(-20) Hz(-1/2). The combination of the two joint runs entails the most sensitive all-sky search for generic gravitational-wave bursts and synthesizes the results achieved by the initial generation of interferometric detectors.
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24.
  • Abadie, J., et al. (författare)
  • All-sky search for periodic gravitational waves in the full S5 LIGO data
  • 2012
  • Ingår i: Physical Review D (Particles, Fields, Gravitation and Cosmology). - 1550-2368. ; 85:2
  • Tidskriftsartikel (refereegranskat)abstract
    • We report on an all-sky search for periodic gravitational waves in the frequency band 50-800 Hz and with the frequency time derivative in the range of 0 through -6 x 10(-9) Hz/s. Such a signal could be produced by a nearby spinning and slightly nonaxisymmetric isolated neutron star in our Galaxy. After recent improvements in the search program that yielded a 10x increase in computational efficiency, we have searched in two years of data collected during LIGO's fifth science run and have obtained the most sensitive all-sky upper limits on gravitational-wave strain to date. Near 150 Hz our upper limit on worst-case linearly polarized strain amplitude h(0) is 1 x 10(-24), while at the high end of our frequency range we achieve a worst-case upper limit of 3.8 x 10(-24) for all polarizations and sky locations. These results constitute a factor of 2 improvement upon previously published data. A new detection pipeline utilizing a loosely coherent algorithm was able to follow up weaker outliers, increasing the volume of space where signals can be detected by a factor of 10, but has not revealed any gravitational-wave signals. The pipeline has been tested for robustness with respect to deviations from the model of an isolated neutron star, such as caused by a low-mass or long-period binary companion.
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25.
  • Abadie, J., et al. (författare)
  • First low-latency LIGO plus Virgo search for binary inspirals and their electromagnetic counterparts
  • 2012
  • Ingår i: Astronomy & Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; 541
  • Tidskriftsartikel (refereegranskat)abstract
    • Aims. The detection and measurement of gravitational-waves from coalescing neutron-star binary systems is an important science goal for ground-based gravitational-wave detectors. In addition to emitting gravitational-waves at frequencies that span the most sensitive bands of the LIGO and Virgo detectors, these sources are also amongst the most likely to produce an electromagnetic counterpart to the gravitational-wave emission. A joint detection of the gravitational-wave and electromagnetic signals would provide a powerful new probe for astronomy. Methods. During the period between September 19 and October 20, 2010, the first low-latency search for gravitational-waves from binary inspirals in LIGO and Virgo data was conducted. The resulting triggers were sent to electromagnetic observatories for followup. We describe the generation and processing of the low-latency gravitational-wave triggers. The results of the electromagnetic image analysis will be described elsewhere. Results. Over the course of the science run, three gravitational-wave triggers passed all of the low-latency selection cuts. Of these, one was followed up by several of our observational partners. Analysis of the gravitational-wave data leads to an estimated false alarm rate of once every 6.4 days, falling far short of the requirement for a detection based solely on gravitational-wave data.
  •  
26.
  • Abadie, J., et al. (författare)
  • Implementation and testing of the first prompt search for gravitational wave transients with electromagnetic counterparts
  • 2012
  • Ingår i: Astronomy & Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; 539
  • Tidskriftsartikel (refereegranskat)abstract
    • Aims. A transient astrophysical event observed in both gravitational wave (GW) and electromagnetic (EM) channels would yield rich scientific rewards. A first program initiating EM follow-ups to possible transient GW events has been developed and exercised by the LIGO and Virgo community in association with several partners. In this paper, we describe and evaluate the methods used to promptly identify and localize GW event candidates and to request images of targeted sky locations. Methods. During two observing periods (Dec. 17, 2009 to Jan. 8, 2010 and Sep. 2 to Oct. 20, 2010), a low-latency analysis pipeline was used to identify GW event candidates and to reconstruct maps of possible sky locations. A catalog of nearby galaxies and Milky Way globular clusters was used to select the most promising sky positions to be imaged, and this directional information was delivered to EM observatories with time lags of about thirty minutes. A Monte Carlo simulation has been used to evaluate the low-latency GW pipeline's ability to reconstruct source positions correctly. Results. For signals near the detection threshold, our low-latency algorithms often localized simulated GW burst signals to tens of square degrees, while neutron star/neutron star inspirals and neutron star/black hole inspirals were localized to a few hundred square degrees. Localization precision improves for moderately stronger signals. The correct sky location of signals well above threshold and originating from nearby galaxies may be observed with similar to 50% or better probability with a few pointings of wide-field telescopes.
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27.
  • Abadie, J., et al. (författare)
  • Search for Gravitational Waves Associated with Gamma-Ray Bursts during LIGO Science Run 6 and Virgo Science Runs 2 and 3
  • 2012
  • Ingår i: Astrophysical Journal. - 0004-637X. ; 760:1
  • Tidskriftsartikel (refereegranskat)abstract
    • We present the results of a search for gravitational waves associated with 154 gamma-ray bursts (GRBs) that were detected by satellite-based gamma-ray experiments in 2009-2010, during the sixth LIGO science run and the second and third Virgo science runs. We perform two distinct searches: a modeled search for coalescences of either two neutron stars or a neutron star and black hole, and a search for generic, unmodeled gravitational-wave bursts. We find no evidence for gravitational-wave counterparts, either with any individual GRB in this sample or with the population as a whole. For all GRBs we place lower bounds on the distance to the progenitor, under the optimistic assumption of a gravitational-wave emission energy of 10(-2) M-circle dot c(2) at 150 Hz, with a median limit of 17 Mpc. For short-hard GRBs we place exclusion distances on binary neutron star and neutron-star-black-hole progenitors, using astrophysically motivated priors on the source parameters, with median values of 16 Mpc and 28 Mpc, respectively. These distance limits, while significantly larger than for a search that is not aided by GRB satellite observations, are not large enough to expect a coincidence with a GRB. However, projecting these exclusions to the sensitivities of Advanced LIGO and Virgo, which should begin operation in 2015, we find that the detection of gravitational waves associated with GRBs will become quite possible.
  •  
28.
  • Abadie, J., et al. (författare)
  • Search for gravitational waves from intermediate mass binary black holes
  • 2012
  • Ingår i: Physical Review D (Particles, Fields, Gravitation and Cosmology). - 1550-2368. ; 85:10
  • Tidskriftsartikel (refereegranskat)abstract
    • We present the results of a weakly modeled burst search for gravitational waves from mergers of nonspinning intermediate mass black holes in the total mass range 100-450 M-circle dot and with the component mass ratios between 1: and 4:1. The search was conducted on data collected by the LIGO and Virgo detectors between November of 2005 and October of 2007. No plausible signals were observed by the search which constrains the astrophysical rates of the intermediate mass black holes mergers as a function of the component masses. In the most efficiently detected bin centered on 88 + 88 M-circle dot, for nonspinning sources, the rate density upper limit is 0.13 per Mpc(3) per Myr at the 90% confidence level.
  •  
29.
  • Abadie, J., et al. (författare)
  • Search for gravitational waves from low mass compact binary coalescence in LIGO's sixth science run and Virgo's science runs 2 and 3
  • 2012
  • Ingår i: Physical Review D (Particles, Fields, Gravitation and Cosmology). - 1550-2368. ; 85:8
  • Tidskriftsartikel (refereegranskat)abstract
    • We report on a search for gravitational waves from coalescing compact binaries using LIGO and Virgo observations between July 7, 2009, and October 20, 2010. We searched for signals from binaries with total mass between 2 and 25M(circle dot); this includes binary neutron stars, binary black holes, and binaries consisting of a black hole and neutron star. The detectors were sensitive to systems up to 40 Mpc distant for binary neutron stars, and further for higher mass systems. No gravitational-wave signals were detected. We report upper limits on the rate of compact binary coalescence as a function of total mass, including the results from previous LIGO and Virgo observations. The cumulative 90% confidence rate upper limits of the binary coalescence of binary neutron star, neutron star-black hole, and binary black hole systems are 1.3 x 10(-4), 3.1 x 10(-5), and 6.4 x 10(-6) Mpc(-3) yr(-1), respectively. These upper limits are up to a factor 1.4 lower than previously derived limits. We also report on results from a blind injection challenge.
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30.
  • Abadie, J., et al. (författare)
  • Upper limits on a stochastic gravitational-wave background using LIGO and Virgo interferometers at 600-1000 Hz
  • 2012
  • Ingår i: Physical Review D (Particles, Fields, Gravitation and Cosmology). - 1550-2368. ; 85:12
  • Tidskriftsartikel (refereegranskat)abstract
    • A stochastic background of gravitational waves is expected to arise from a superposition of many incoherent sources of gravitational waves, of either cosmological or astrophysical origin. This background is a target for the current generation of ground-based detectors. In this article we present the first joint search for a stochastic background using data from the LIGO and Virgo interferometers. In a frequency band of 600-1000 Hz, we obtained a 95% upper limit on the amplitude of Omega(GW)(f) = Omega(3)(f/900 Hz)(3), of Omega(3) < 0.32, assuming a value of the Hubble parameter of h(100) = 0.71. These new limits are a factor of seven better than the previous best in this frequency band.
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31.
  • Abazov, V. M., et al. (författare)
  • Measurement of spin correlation between top and antitop quarks produced in p(p)over-bar collisions at root s=1.96 TeV
  • 2016
  • Ingår i: Physics Letters B. - : Elsevier BV. - 0370-2693 .- 1873-2445. ; 757, s. 199-206
  • Tidskriftsartikel (refereegranskat)abstract
    • We present a measurement of the correlation between the spins of t and (t) over bar quarks produced in proton-antiproton collisions at the Tevatron Collider at a center-of-mass energy of 1.96 TeV. We apply a matrix element technique to dilepton and single-lepton+jets final states in data accumulated with the DO detector that correspond to an integrated luminosity of 9.7 fb(-1). The measured value of the correlation coefficient in the off-diagonal basis, O-off = 0.89 +/- 0.22 (stat + syst), is in agreement with the standard model prediction, and represents evidence for a top-antitop quark spin correlation difference from zero at a level of 4.2 standard deviations.
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32.
  • Adrian-Martinez, S., et al. (författare)
  • A first search for coincident gravitational waves and high energy neutrinos using LIGO, Virgo and ANTARES data from 2007
  • 2013
  • Ingår i: Journal of Cosmology and Astroparticle Physics. - : IOP Publishing. - 1475-7516. ; :6
  • Tidskriftsartikel (refereegranskat)abstract
    • We present the results of the first search for gravitational wave bursts associated with high energy neutrinos. Together, these messengers could reveal new, hidden sources that are not observed by conventional photon astronomy, particularly at high energy. Our search uses neutrinos detected by the underwater neutrino telescope ANTARES in its 5 line configuration during the period January - September 2007, which coincided with the fifth and first science runs of LIGO and Virgo, respectively. The LIGO-Virgo data were analysed for candidate gravitational-wave signals coincident in time and direction with the neutrino events. No significant coincident events were observed. We place limits on the density of joint high energy neutrino - gravitational wave emission events in the local universe, and compare them with densities of merger and core-collapse events.
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33.
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34.
  • Ballmann, Joachim, et al. (författare)
  • Secondary bonding interactions in biomimetic [2Fe-2S] clusters
  • 2008
  • Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 1520-510X .- 0020-1669. ; 47:5, s. 1586-1596
  • Tidskriftsartikel (refereegranskat)abstract
    • A series of synthetic [2Fe-2S] complexes with terminal thiophenolate ligands and tethered ether or thioether moieties has been prepared and investigated in order to provide models for the potential interaction of additional donor atoms with the Fe atoms in biological [2Fe-2S] clusters. X-ray crystal structures have been determined for six new complexes that feature appended Et (1(C)), OMe (1(O)), or SMe (1(S)) groups, or with a methylene group (2(C)), an ether-O (2(O)), or an thioether-S (2(S)) linking two aryl group. The latter two systems provide a constrained chelate arrangement that induces secondary bonding interactions with the ether-O and thioether-S, which is confirmed by density functional theory (DFT) calculations that also reveal significant spin density on those fifth donor atoms. Structural consequences of the secondary bonding interactions are analyzed in detail, and effects on the spectroscopic and electronic properties are probed by UV-vis, Mossbauer, and H-1 NMR spectroscopy, as well by SQUID measurements and cyclic voltammetry. The potential relevance of the findings for biological [2Fe-2S] sites is considered.
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35.
  • Das, Biswanath, et al. (författare)
  • A Heterobimetallic FeIIIMnII Complex of an Unsymmetrical Dinucleating Ligand : A Structural and Functional Model Complex for the Active Site of Purple Acid Phosphatase of Sweet Potato
  • 2014
  • Ingår i: European Journal of Inorganic Chemistry. - : Wiley. - 1434-1948 .- 1099-1948 .- 1099-0682. ; 2014:13, s. 2204-2212
  • Tidskriftsartikel (refereegranskat)abstract
    • The heterodinuclear mixed-valence complex [FeMn(ICIMP)(OAc)(2)Cl] (1) {H2ICIMP = 2-(N-carboxylmethyl)-[N-(N-methylimidazolyl-2-methyl)aminomethyl]-[6-(N-isopropylmethyl)-[N-(N-methylimidazolyl-2-methyl)]aminomethyl-4-methylphenol], an unsymmetrical N4O2 donor ligand} has been synthesized and fully characterized by several spectroscopic techniques as well as by X-ray crystallography. The crystal structure of the complex reveals that both metal centers in 1 are six-coordinate with the chloride ion occupying the sixth coordination site of the Mn-II ion. The phenoxide moiety of the ICIMP ligand and both acetate ligands bridge the two metal ions of the complex. Mossbauer spectroscopy shows that the iron ion in 1 is high-spin Fe-III. Two quasi-reversible redox reactions for the complex, attributed to the (FeMnII)-Mn-III/(FeMnII)-Mn-II (at -0.67 V versus Fc/Fc(+)) and (FeMnII)-Mn-III/(FeMnIII)-Mn-III (at 0.84 V), were observed by means of cyclic voltammetry. Complex 1, with an Fe-III-Mn-II distance of 3.58 angstrom, may serve as a model for the mixed-valence oxidation state of purple acid phosphatase from sweet potato. The capability of the complex to effect organophosphate hydrolysis (phosphatase activity) has been investigated at different pH levels (5.5-11) by using bis(2,4-dinitrophenyl)phosphate (BDNPP) as the substrate. Density functional theory calculations indicate that the substrate coordinates to the Mn-II ion. In the transition state, a hydroxide ion that bridges the two metal ions becomes terminally coordinated to the Fe-III ion and acts as a nucleophile, attacking the phosphorus center of BDNPP with the concomitant dissociation of the leaving group.
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36.
  • Das, Biswanath, et al. (författare)
  • Water oxidation catalyzed by molecular di- and nonanuclear Fe complexes: importance of a proper ligand framework
  • 2016
  • Ingår i: Dalton Transactions. - : ROYAL SOC CHEMISTRY. - 1477-9226 .- 1477-9234. ; 45:34, s. 13289-13293
  • Tidskriftsartikel (refereegranskat)abstract
    • The synthesis of two molecular iron complexes, a dinuclear iron(III,III) complex and a nonanuclear iron complex, based on the di-nucleating ligand 2,2-(2-hydroxy-5-methyl-1,3-phenylene)bis(1H-benzo[d]imidazole-4-carboxylic acid) is described. The two iron complexes were found to drive the oxidation of water by the one-electron oxidant [Ru(bpy)(3)](3+).
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37.
  • Evans, P. A., et al. (författare)
  • Swift Follow-up Observations of Candidate Gravitational-wave Transient Events
  • 2012
  • Ingår i: The Astrophysical Journal Supplement Series. - : American Astronomical Society. - 0067-0049 .- 1538-4365. ; 203:2
  • Tidskriftsartikel (refereegranskat)abstract
    • We present the first multi-wavelength follow-up observations of two candidate gravitational-wave (GW) transient events recorded by LIGO and Virgo in their 2009-2010 science run. The events were selected with low latency by the network of GW detectors (within less than 10 minutes) and their candidate sky locations were observed by the Swift observatory (within 12 hr). Image transient detection was used to analyze the collected electromagnetic data, which were found to be consistent with background. Off-line analysis of the GW data alone has also established that the selected GW events show no evidence of an astrophysical origin; one of them is consistent with background and the other one was a test, part of a "blind injection challenge." With this work we demonstrate the feasibility of rapid follow-ups of GW transients and establish the sensitivity improvement joint electromagnetic and GW observations could bring. This is a first step toward an electromagnetic follow-up program in the regime of routine detections with the advanced GW instruments expected within this decade. In that regime, multi-wavelength observations will play a significant role in completing the astrophysical identification of GW sources. We present the methods and results from this first combined analysis and discuss its implications in terms of sensitivity for the present and future instruments.
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38.
  • Fuchs, Michael G. G., et al. (författare)
  • A combined computational and experimental investigation of the [2Fe-2S] cluster in biotin synthase
  • 2010
  • Ingår i: Journal of Biological Inorganic Chemistry. - : Springer Science and Business Media LLC. - 1432-1327 .- 0949-8257. ; 15:2, s. 203-212
  • Tidskriftsartikel (refereegranskat)abstract
    • Biotin synthase was the first example of what is now regarded as a distinctive enzyme class within the radical S-adenosylmethionine superfamily, the members of which use Fe/S Clusters as the sulphur source in radical sulphur insertion reactions. The crystal structure showed that this enzyme contains a [2Fe-2S] cluster with a highly unusual arginine ligand, besides three normal cysteine ligands. However, the crystal structure is at such a low resolution that neither the exact coordination mode nor the role of this exceptional ligand has been elucidated yet, although it has been shown that it is not essential for enzyme activity. We have used quantum refinement of the crystal structure and combined quantum mechanical and molecular mechanical calculations to explore possible coordination modes and their influences on Cluster properties. The investigations show that the protonation state of the arginine ligand has little influence on cluster geometry, so even a positively charged guanidinium moiety would be in close proximity to the iron atom. Nevertheless, the crystallised enzyme most probably contains a deprotonated (neutral) arginine coordinating via the NH group. Furthermore, the Fe center dot center dot center dot Fe distance seems to be independent of the coordination mode and is in perfect agreement with distances in other structurally characterised [2Fe-2S] clusters. The exceptionally large Fe center dot center dot center dot Fe distance found in the crystal structure could not be reproduced.
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39.
  • Fuchs, Michael G G, et al. (författare)
  • A five-coordinate [2Fe-2S] cluster.
  • 2010
  • Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 1520-510X .- 0020-1669. ; 49:13, s. 5853-5858
  • Tidskriftsartikel (refereegranskat)abstract
    • A unique [2Fe-2S] cluster (1) with genuinely five-coordinate ferric ions has been synthesized and investigated both structurally and spectroscopically. The crystal structure of 1 as well as (1)H NMR data reveal that 2,6-bis(imidazol-2-yl)pyridine binds to the [2Fe-2S] core as a tridentate capping ligand. DFT calculations showing spin density on all coordinating atoms support this finding. Cluster 1 has also been characterized by Mössbauer and UV/vis spectroscopy, mass spectrometry, cyclic voltammetry, and magnetic susceptibility measurements. Significant spectroscopic properties that make 1 distinct from conventional [2Fe-2S] clusters include a rather small quadrupole splitting of 0.43 mm/s.
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40.
  • Jarenmark, Martin, et al. (författare)
  • Synthesis, characterization, and reactivity studies of heterodinuclear complexes modeling active sites in purple Acid phospatases.
  • 2011
  • Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 1520-510X .- 0020-1669. ; 50:9, s. 3866-3887
  • Tidskriftsartikel (refereegranskat)abstract
    • To model the heterodinuclear active sites in plant purple acid phosphatases, a mononuclear synthon, [Fe(III)(H(2)IPCPMP)(Cl(2))][PF(6)] (1), has been generated in situ from the ligand 2-(N-isopropyl-N-((2-pyridyl)methyl)aminomethyl)-6-(N-(carboxylmethyl)-N-((2-pyridyl)methyl)amino methyl)-4-methylphenol (IPCPMP) and used to synthesize heterodinuclear complexes of the formulas [Fe(III)M(II)(IPCPMP)(OAc)(2)(CH(3)OH)][PF(6)] (M = Zn (2), Co (3), Ni (4), Mn (5)), [Fe(III)Zn(II)(IPCPMP)(mpdp)][PF(6)] (6) (mpdp = meta-phenylene-dipropionate), and [Fe(III)Cu(II)(IPCPMP) (OAc)}(2)(μ-O)][PF(6)] (7). Complexes 2-4, 6, and 7 have been crystallographically characterized. The structure of 6 is a solid state coordination polymer with heterodinuclear monomeric units, and 7 is a tetranuclear complex consisting of two heterodinuclear phenolate-bridged Fe(III)Cu(II) units bridged through a μ-oxido group between the two Fe(III) ions. Mössbauer spectra confirm the presence of high spin Fe(III) in an octahedral environment for 1, 3, and 5 while 2 and 4 display relaxation effects. Magnetic susceptibility measurements indicate weak antiferromagnetic coupling for 3, 4, and 5 and confirm the assignment of the metal centers in 2-5 as high spin Fe(III)-M(II) (M = Zn, Co (high spin), Ni (high spin), Mn (high spin)). Complexes 2-5 are intact in acetonitrile solution as indicated by IR spectroscopy (for 2-4) and electrospray ionization mass spectrometry (ESI-MS) but partly dissociate to hydroxide species and a mononuclear complex in water/acetonitrile solutions. UV-vis spectroscopy reveal pH-dependent behavior, and species that form upon increasing the pH have been assigned to μ-hydroxido-bridged Fe(III)M(II) complexes for 2-5 although 2 and 3 is further transformed into what is propsed to be a μ-oxido-bridged tetranuclear complex similar to 7. Complexes 2-5 enhance phosphodiester cleavage of 2-hydroxy-propyl-p-nitrophenyl phosphate (HPNP) and bis(2,4-dinitrophenyl)phosphate (BDNPP), but the reactivities are different for different complexes and generally show strong pH dependence.
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41.
  • Jarenmark, Martin, et al. (författare)
  • Unsymmetrical dizinc complexes as models for the active sites of phosphohydrolases.
  • 2010
  • Ingår i: Dalton Transactions. - : Royal Society of Chemistry (RSC). - 1477-9234 .- 1477-9226. ; 39:35, s. 8183-8194
  • Tidskriftsartikel (refereegranskat)abstract
    • The unsymmetrical dinucleating ligand 2-(N-isopropyl-N-((2-pyridyl)methyl)aminomethyl)-6-(N-(carboxylmethyl)-N-((2-pyridyl)methyl)aminomethyl)-4-methylphenol (IPCPMP or L) has been synthesized to model the active site environment of dinuclear metallohydrolases. It has been isolated as the hexafluorophosphate salt H(4)IPCPMP(PF(6))(2).2H(2)O (H(4)L), which has been structurally characterized, and has been used to form two different Zn(ii) complexes, [{Zn(2)(IPCPMP)(OAc)}(2)][PF(6)](2) () and [{Zn(2)(IPCPMP)(Piv)}(2)][PF(6)](2) () (OAc = acetate; Piv = pivalate). The crystal structures of and show that they consist of tetranuclear complexes with very similar structures. Infrared spectroscopy and mass spectrometry indicate that the tetranuclear complexes dissociate into dinuclear complexes in solution. Potentiometric studies of the Zn(ii) : IPCPMP system in aqueous solution reveal that a mononuclear complex is surprisingly stable at low pH, even at a 2 : 1 Zn(ii) : L ratio, but a dinuclear complex dominates at high pH and transforms into a dihydroxido complex by a cooperative deprotonation of two, probably terminally coordinated, water molecules. A kinetic investigation indicates that one of these hydroxides is the active nucleophile in the hydrolysis of bis(2,4-dinitrophenyl)phosphate (BDNPP) enhanced by complex , and mechanistic proposals are presented for this reaction as well as the previously reported transesterification of 2-hydroxypropyl p-nitrophenyl phosphate (HPNP) promoted by Zn(ii) complexes of IPCPMP.
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42.
  • Li, Fusheng, 1985- (författare)
  • Design of Water Splitting Devices via Molecular Engineering
  • 2016
  • Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
    • Converting solar energyto fuels such as hydrogen by the reaction of water splitting is a promising solution for the future sustainable energy systems. The theme of this thesis is to design water splitting devices via molecular engineering; it concerns the studies of both electrochemical-driven and photo-electrochemical driven molecular functional devices for water splitting.The first chapter presents a general introduction about Solar Fuel Conversion. It concerns molecular water splitting catalysts, light harvesting materials and fabrication methods of water splitting devices.The second chapter describes an electrode by immobilizing a molecular water oxidation catalyston carbon nanotubes through the hydrophobic interaction. This fabrication method is corresponding to the question: “How to employ catalysts in functional devices without affecting their performances?”In the third chapter, molecular water oxidation catalysts were successfully immobilized on glassy carbon electrode surface via electrochemical polymerization method. The O-O bond formation pathways of catalysts on electrode surfaces were studied. This kinetic studyis corresponding to the question: “How to get kinetic information of RDS whena catalyst is immobilized on the electrode surface?” Chapter four explores molecular water oxidation catalysts immobilized on dye-sensitized TiO2 electrodeand Fe2O3 semiconductor electrode via different fabrication methods. The reasons of photocurrent decay are discussed and two potential solutions are provided. These studies are corresponding to the question: “How to improvethe stability of photo-electrodes?”Finally, in the last chapter, two novel Pt-free Z-schemed molecular photo-electrochemical cells with both photoactive cathode and photoactive anode for visible light driven water splitting driven were demonstrated. These studies are corresponding to the question: “How to utilizethe concept of Z-schemein photosynthesis to fabricate Pt-free molecular based PEC cells?
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43.
  • Li, Yong, et al. (författare)
  • Non-heme FeIV=O complexes supported by four new pentadentate ligands : reactivity towards H- and O-atom transfer processes
  • 2023
  • Ingår i: Inorganic Chemistry. - 1520-510X. ; 62:45, s. 18338-18356
  • Tidskriftsartikel (refereegranskat)abstract
    • Four new pentadentate N5-donor ligands, [N-(1-methyl-2-imidazolyl)methyl-N-(2-pyridyl)-methyl-N-(bis-2-pyridylmethyl)-amine] (L1), [N-bis(1-methyl-2-imidazolyl)methyl-N-(bis-2-pyridylmethyl)amine] (L2), (N-(isoquinolin-3-ylmethyl)-1,1-di(pyridin-2-yl)-N-(pyridin-2-ylmethyl)methanamine (L3) and N,N-bis(isoquinolin-3-ylmethyl)-1,1-di(pyridin-2-yl)methanamine (L4), have been synthesized based on the N4Py ligand framework, where one or two pyridyl arms of the N4Py parent are replaced by (N-methyl)imidazolyl or N-(isoquinolin-3-ylmethyl) moieties. Using these four pentadentate ligands, the mononuclear complexes [FeII(CH3CN)(L1)]2+ (1a), [FeII(CH3CN)(L2)]2+ (2a), [FeII(CH3CN)(L3)]2+ (3a) and [FeII(CH3CN)(L4)]2+ (4a) have been synthesized and characterized. The half-wave potentials (E1/2) of the complexes become more positive in the order: 2a < 1a < 4a  3a  [Fe(N4Py)(CH3CN)]2+. The order of oxidation potentials correlates well with the Fe-Namine distances observed by crystallography, which are 2a  1a  4a  3a  [Fe(N4Py)(CH3CN)]2+. The corresponding ferryl complexes [FeIV(O)(L1)]2+ (1b), [FeIV(O)(L2)]2+ (2b), [FeIV(O)(L3)]2+ (3b), and [FeIV(O)(L4)]2+ (4b) could be prepared by reaction of the ferrous complexes with isopropyl 2-iodoxybenzoate (IBX ester) in acetonitrile. The greenish complexes 3b and 4b could also be isolated in the solid state by reaction of the ferrous complexes in CH3CN with ceric ammonium nitrate in water. Mössbauer spectroscopy and magnetic measurements (SQUID) show that the four complexes 1b, 2b, 3b and 4b are low-spin (S = 1) FeIV=O complexes. UV/Vis spectra of the four FeIV=O complexes in acetonitrile show typical long wavelength absorptions around 700 nm, which are expected for FeIV=O complexes with N4Py-type ligands. The wavelengths of these absorptions decrease in the following order: 721 nm (2b) > 706 nm (1b) > 696 nm (4b) > 695 nm (3b) = 695 nm ([FeIV(O) (N4Py)]2+), indicating that the replacement of pyridyl arms with (N-methyl) imidazolyl moieties makes L1 and L2 exert weaker ligand fields than the parent N4Py ligand, while the ligand field strengths of L3 and L4 are similar to the N4Py parent despite the replacement of pyridyl arms with N-(isoquinolin-3-ylmethyl) moieties. Consequently, complexes 1b and 2b tend to be less stable than the parent [FeIV(O)(N4Py)]2+ complex: the half-life sequence at room temperature is 1.67 h (2b) < 16 h (1b) < 45 h (4b) < 63 h (3b) ≈ 60 h ([FeIV(O)(N4Py)]2+). Compared to the parent complex, 1b and 2b exhibit enhanced reactivity in both oxidation of thioanisole by oxygen atom transfer (OAT) reaction and oxygenation of C-H bonds of aromatic and aliphatic substrates, presumed to occur via an oxygen rebound process. Furthermore, second-order rate constants for hydrogen atom transfer (HAT) reactions affected by the ferryl complexes can be directly related to the C-H bond dissociation energies of a range of substrates that have been studied. Using either IBX ester or H2O2 as oxidant, all four new FeII complexes display good performance in catalytic reactions involving both HAT and OAT reactions.
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44.
  • Malinkin, Sergey O., et al. (författare)
  • Novel pyrazolate-based copper(II) [2 x 2] grid complexes: Synthesis, structure and properties
  • 2012
  • Ingår i: Inorganica Chimica Acta. - : Elsevier BV. - 0020-1693. ; 392, s. 322-330
  • Tidskriftsartikel (refereegranskat)abstract
    • 5-Acetyl-substituted pyrazole-3-carboxylic acid (H2L) forms [2 x 2] grid-like tetranuclear Cu(II) complexes with four five-coordinated copper(II) ions bridged by pyrazolate groups. Despite a significant dissociation of [Cu4L4(H2O)(4)]center dot 4H(2)O (1) in aqueous solution(1), it was possible to substitute the coordinated water molecules by pyridine ligands or azide anions. The resulting tetranuclear complexes [Cu4L4Py4]center dot 2H(2)O (2) and Na-4[Cu4L4(N-3)(4)]center dot 7MeOH (3) were isolated and studied by X-ray diffraction analysis. In 2 and 3 the azide anions or pyridine molecules complete the distorted square-pyramidal coordination of each copper(II) center. Magnetic susceptibilities of the obtained compounds have been measured by SQUID techniques. Simulation of the data using a Heisenberg spin Hamiltonian approach showed that the bridges between the metals mediate weak intramolecular antiferromagnetic coupling (J in the range -13.3 to -17.1 cm (1)) and lead to a singlet ground state in all cases. (C) 2012 Elsevier B.V. All rights reserved.
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45.
  • Mitra, Mainak, et al. (författare)
  • Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions
  • 2015
  • Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 1520-510X .- 0020-1669. ; 54:15, s. 7152-7164
  • Tidskriftsartikel (refereegranskat)abstract
    • Two new pentadentate {N5} donor ligands based on the N4Py (N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine) framework have been synthesized, viz. [N-(1-methyl-2-benzimidazolyl)methyl-N-(2-pyridyl)methyl-N-(bis-2-pyridyl methyl)amine] (L1) and [N-bis(1-methyl-2-benzimidazolyl)methyl-N-(bis-2-pyridylmethyl)amine] (L2), where one or two pyridyl arms of N4Py have been replaced by corresponding (N-methyl)benzimidazolyl-containing arms. The complexes [FeII(CH3CN)(L)]2+ (L = L1 (1); L2 (2)) were synthesized, and reaction of these ferrous complexes with iodosylbenzene led to the formation of the ferryl complexes [FeIV(O)(L)]2+ (L = L1 (3); L2 (4)), which were characterized by UV–vis spectroscopy, high resolution mass spectrometry, and Mössbauer spectroscopy. Complexes 3 and 4 are relatively stable with half-lives at room temperature of 40 h (L = L1) and 2.5 h (L = L2). The redox potentials of 1 and 2, as well as the visible spectra of 3 and 4, indicate that the ligand field weakens as ligand pyridyl substituents are progressively substituted by (N-methyl)benzimidazolyl moieties. The reactivities of 3 and 4 in hydrogen-atom transfer (HAT) and oxygen-atom transfer (OAT) reactions show that both complexes exhibit enhanced reactivities when compared to the analogous N4Py complex ([FeIV(O)(N4Py)]2+), and that the normalized HAT rates increase by approximately 1 order of magnitude for each replacement of a pyridyl moiety; i.e., [FeIV(O)(L2)]2+ exhibits the highest rates. The second-order HAT rate constants can be directly related to the substrate C–H bond dissociation energies. Computational modeling of the HAT reactions indicates that the reaction proceeds via a high spin transition state.
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46.
  • Naumova, Maria A., et al. (författare)
  • Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum
  • 2020
  • Ingår i: The Journal of chemical physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 152:21
  • Tidskriftsartikel (refereegranskat)abstract
    • Oligonuclear complexes of d4-d7 transition metal ion centers that undergo spin-switching have long been developed for their practical role in molecular electronics. Recently, they also have appeared as promising photochemical reactants demonstrating improved stability. However, the lack of knowledge about their photophysical properties in the solution phase compared to mononuclear complexes is currently hampering their inclusion into advanced light-driven reactions. In the present study, the ultrafast photoinduced dynamics in a solvated [2 × 2] iron(II) metallogrid complex are characterized by combining measurements with transient optical-infrared absorption and x-ray emission spectroscopy on the femtosecond time scale. The analysis is supported by density functional theory calculations. The photocycle can be described in terms of intra-site transitions, where the FeII centers in the low-spin state are independently photoexcited. The Franck-Condon state decays via the formation of a vibrationally hot high-spin (HS) state that displays coherent behavior within a few picoseconds and thermalizes within tens of picoseconds to yield a metastable HS state living for several hundreds of nanoseconds. Systematic comparison with the closely related mononuclear complex [Fe(terpy)2]2+ reveals that nuclearity has a profound impact on the photoinduced dynamics. More generally, this work provides guidelines for expanding the integration of oligonuclear complexes into new photoconversion schemes that may be triggered by ultrafast spin-switching.
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47.
  • Naumova, Maria A., et al. (författare)
  • Revealing Hot and Long-Lived Metastable Spin States in the Photoinduced Switching of Solvated Metallogrid Complexes with Femtosecond Optical and X-ray Spectroscopies
  • 2020
  • Ingår i: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 11:6, s. 2133-2141
  • Tidskriftsartikel (refereegranskat)abstract
    • An atomistic understanding of the photoinduced spin-state switching (PSS) within polynuclear systems of d4-d7 transition metal ion complexes is required for their rational integration into light-driven reactions of chemical and biological interest. However, in contrast to mononuclear systems, the multidimensional dynamics of the PSS in solvated molecular arrays have not yet been elucidated due to the expected complications associated with the connectivity between the metal centers and the strong interactions with the surroundings. In this work, the PSS in a solvated triiron(II) metallogrid complex is characterized using transient optical absorption and X-ray emission spectroscopies on the femtosecond time scale. The complementary measurements reveal the photoinduced creation of energy-rich (hot) and long-lived quintet states, whose dynamics differ critically from their mononuclear congeners. This finding opens major prospects for developing novel schemes in solution-phase spin chemistry that are driven by the dynamic PSS process in compact oligometallic arrays.
  •  
48.
  • Schmid, Lucius, et al. (författare)
  • Borylation in the Second Coordination Sphere of FeIICyanido Complexes and Its Impact on Their Electronic Structures and Excited-State Dynamics
  • 2022
  • Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 61:40, s. 15853-15863
  • Tidskriftsartikel (refereegranskat)abstract
    • Second coordination sphere interactions of cyanido complexes with hydrogen-bonding solvents and Lewis acids are known to influence their electronic structures, whereby the non-labile attachment of B(C6F5)3resulted in several particularly interesting new compounds lately. Here, we investigate the effects of borylation on the properties of two FeIIcyanido complexes in a systematic manner by comparing five different compounds and using a range of experimental techniques. Electrochemical measurements indicate that borylation entails a stabilization of the FeII-based t2g-like orbitals by up to 1.65 eV, and this finding was confirmed by Mössbauer spectroscopy. This change in the electronic structure has a profound impact on the UV-vis absorption properties of the borylated complexes compared to the non-borylated ones, shifting their metal-to-ligand charge transfer (MLCT) absorption bands over a wide range. Ultrafast UV-vis transient absorption spectroscopy provides insight into how borylation affects the excited-state dynamics. The lowest metal-centered (MC) excited states become shorter-lived in the borylated complexes compared to their cyanido analogues by a factor of ∼10, possibly due to changes in outer-sphere reorganization energies associated with their decay to the electronic ground state as a result of B(C6F5)3attachment at the cyanido N lone pair.
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49.
  • Singh, Reena, et al. (författare)
  • A Mononuclear Nonheme Iron(IV)-Oxo Complex of a Substituted N4Py Ligand : Effect of Ligand Field on Oxygen Atom Transfer and C-H Bond Cleavage Reactivity
  • 2019
  • Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 58:3, s. 1862-1876
  • Tidskriftsartikel (refereegranskat)abstract
    • A mononuclear iron(II) complex [FeII(N4PyMe2)(OTf)](OTf)(1), supported by a new pentadentate ligand, bis(6-methylpyridin-2-yl)-N,N-bis((pyridin-2-yl)methyl)methanamine (N4PyMe2), has been isolated and characterized. Introduction of methyl groups in the 6-position of two pyridine rings makes the N4PyMe2 a weaker field ligand compared to the parent N4Py ligand. Complex 1 is high-spin in the solid state and converts to [FeII(N4PyMe2)(CH3CN)](OTf)2 (1a) in acetonitrile solution. The iron(II) complex in acetonitrile displays temperature-dependent spin-crossover behavior over a wide range of temperature. In its reaction with m-CPBA or oxone in acetonitrile at -10 °C, the iron(II) complex converts to an iron(IV)-oxo species, [FeIV(O)(N4PyMe2)]2+ (2). Complex 2 exhibits the Mössbauer parameters δ = 0.05 mm/s and ΔEQ = 0.62 mm/s, typical of N-ligated S = 1 iron(IV)-oxo species. The iron(IV)-oxo complex has a half-life of only 14 min at 25 °C and is reactive toward oxygen-atom-transfer and hydrogen-atom-transfer (HAT) reactions. Compared to the parent complex [FeIV(O)(N4Py)]2+, 2 is more reactive in oxidizing thioanisole and oxygenates the C-H bonds of aliphatic substrates including that of cyclohexane. The enhanced reactivity of 2 toward cyclohexane results from the involvement of the S = 2 transition state in the HAT pathway and a lower triplet-quintet splitting compared to [FeIV(O)(N4Py)]2+, as supported by DFT calculations. The second-order rate constants for HAT by 2 is well correlated with the C-H bond dissociation energies of aliphatic substrates. Surprisingly, the slope of this correlation is different from that of [FeIV(O)(N4Py)]2+, and 2 is more reactive only in the case of strong C-H bonds (>86 kcal/mol), but less reactive in the case of weaker C-H bonds. Using oxone as the oxidant, the iron(II) complex displays catalytic oxidations of substrates with low activity but with good selectivity.
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