| 1. |
- Zettergren, Henning, et al.
(författare)
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Roadmap on dynamics of molecules and clusters in the gas phase
- 2021
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Ingår i: European Physical Journal D. - : Springer Science and Business Media LLC. - 1434-6060 .- 1434-6079. ; 75:5
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Tidskriftsartikel (refereegranskat)abstract
- This roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty order of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity from the smallest (diatomic) molecules to clusters and nanoparticles. Combining some of these techniques opens up new avenues to unravel hitherto unexplored reaction pathways and mechanisms, and to establish their significance in, e.g. radiotherapy and radiation damage on the nanoscale, astrophysics, astrochemistry and atmospheric science.
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| 2. |
- Fathi, Pantea, et al.
(författare)
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Experimental and theoretical investigations of the ion-neutral reaction of C2H2N+ with C2H6 and implications on chain elongation processes in Titan's atmosphere
- 2016
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Ingår i: International Journal of Mass Spectrometry. - : Elsevier BV. - 1387-3806 .- 1873-2798. ; 411, s. 1-13
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Tidskriftsartikel (refereegranskat)abstract
- In this study we report theoretical and experimental evidence for the formation of ionic products by the ion-neutral reaction of C2H2N+ with C2H6. Our investigations consist of laboratory measurements using a guided ion beam mass spectrometer together with complementary ab initio quantum chemical computations, at the MP2/6-311++G(d,p) level of theory, in order to elucidate the energetics and geometries of the intermediates and transition states that are involved in the production of the observed product ions. This study also provides insights on the isomeric nature of the observed product ions, their formation pathways together with collision energy and pressure dependences. The experimental data agrees well with the predictions of the ab initio calculations. Despite data provides evidence for the occurrence of C2H5+ as the most salient product ion, the production of CH3+, C2H3+, C3H5+, C3H7+ and C2H4N+ is also evident. A reaction scheme was proposed to elucidate the mechanisms responsible for the formation of the observed product ions. These processes might be intermediate steps in the generation of long chain carbon and nitrogen-bearing compounds in Titan's ionosphere, the interstellar medium or circumstellar envelopes.
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| 3. |
- Fathi, Pantea, et al.
(författare)
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Ion-neutral reaction of C2H2N+ with CH4 : An experimental and theoretical study
- 2016
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Ingår i: Molecular Astrophysics. - : Elsevier BV. - 2405-6758 .- 2405-674X. ; 5, s. 9-22
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Tidskriftsartikel (refereegranskat)abstract
- The current study was undertaken to probe the ionic products of the ion-neutral reaction of C2H2N+ with CH4 using guided ion beam mass spectrometry (GIB-MS) in which the CH3+, C2H3+, HCNH+, C2H5+, C2H3N+ and C3H4N+ ions are identified as products. Theoretical calculations were performed to suggest reaction pathways leading to the detected products. These processes might be of relevance for the generation of long chain carbon-nitrogen bearing compounds in Titan's atmosphere, the interstellar medium or circumstellar envelopes.
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| 4. |
- Ibrahim, A. Y., et al.
(författare)
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An X-Ray and Radio View of the 2022 Reactivation of the Magnetar SGR J1935+2154
- 2024
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Ingår i: Astrophysical Journal. - 1538-4357 .- 0004-637X. ; 965:1
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Tidskriftsartikel (refereegranskat)abstract
- Recently, the Galactic magnetar SGR J1935+2154 has garnered attention due to its emission of an extremely luminous radio burst, reminiscent of fast radio bursts (FRBs). SGR J1935+2154 is one of the most active magnetars, displaying flaring events nearly every year, including outbursts as well as short and intermediate bursts. Here, we present our results on the properties of the persistent and bursting X-ray emission from SGR J1935+2154 during the initial weeks following its outburst on 2022 October 10. The source was observed with XMM-Newton and NuSTAR (quasi-)simultaneously during two epochs, separated by ∼5 days. The persistent emission spectrum is well described by an absorbed blackbody plus power-law model up to an energy of ∼25 keV. No significant changes were observed in the blackbody temperature (kT BB ∼ 0.4 keV) and emitting radius (R BB ∼ 1.9 km) between the two epochs. However, we observed a slight variation in the power-law parameters. Moreover, we detected X-ray pulsations in all the data sets and derived a spin-period derivative of P ̇ = 5.52 ( 5 ) × 10 − 11 s s−1. This is 3.8 times larger than the value measured after the first recorded outburst in 2014. Additionally, we performed quasi-simultaneous radio observations using three 25-32 m class radio telescopes for a total of 92.5 hr to search for FRB-like radio bursts and pulsed emission. However, our analysis did not reveal any radio bursts or periodic emission.
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| 5. |
- Lindén, Fredrik, et al.
(författare)
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Is the Reaction of C3N- with C2H2 a Possible Process for Chain Elongation in Titan's Ionosphere?
- 2016
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Ingår i: Journal of Physical Chemistry A. - : American Chemical Society (ACS). - 1089-5639 .- 1520-5215. ; 120:27, s. 5337-5347
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Tidskriftsartikel (refereegranskat)abstract
- The reaction of C3N- with acetylene was studied using three different experimental setups, a triple quadrupole mass spectrometer (Trento), a tandem quadrupole mass spectrometer (Prague), and the CERISES guided ion beam apparatus at Orsay. The process is of astrophysical interest because it can function as a chain elongation mechanism to produce larger anions that have been detected in Titan's ionosphere by the Cassini Plasma Spectrometer. Three major products of primary processes, C2H-, CN-, and C5N-, have been identified, whereby the production of the cyanide anion is probably partly due to collisional induced dissociation. The formations of all these products show considerable reaction thresholds and also display comparatively small cross sections. Also, no strong signals of anionic products for collision energies lower than 1 eV have been observed. Ab initio calculations have been performed to identify possible pathways leading to the observed products of the title reaction and to elucidate the thermodynamics of these processes. Although the productions of CN- and C5N- are exoergic, all reaction pathways have considerable barriers. Overall, the results of these computations are in agreement with the observed reaction thresholds. Due to the existence of considerable reaction enenrgy barriers and the small observed cross sections, the title reaction is not very likely to play major role in the buildup of large anions in cold environments like the interstellar medium or planetary and satellite ionospheres.
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| 6. |
- Richardson, Vincent, et al.
(författare)
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Experimental and Computational Studies on the Reactivity of Methanimine Radical Cation (H2CNH+•) and its Isomer Aminomethylene (HCNH2+•) With C2H2
- 2021
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Ingår i: Frontiers in Astronomy and Space Sciences. - : Frontiers Media SA. - 2296-987X. ; 8
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Tidskriftsartikel (refereegranskat)abstract
- Experimental and theoretical studies are presented on the reactivity of the radical cation isomers H2CNH+• (methanimine) and HCNH2+• (aminomethylene) with ethyne (C2H2). Selective isomer generation is performed via dissociative photoionization of suitable neutral precursors as well as via direct photoionization of methanimine. Reactive cross sections (in absolute scales) and product branching ratios are measured as a function of photon and collision energies. Differences between isomers’ reactivity are discussed in light of ab-initio calculations of reaction mechanisms. The major channels, for both isomers, are due to H atom elimination from covalently bound adducts to give [C3NH4]+. Theoretical calculations show that while for the reaction of HCNH2+• with acetylene any of the three lowest energy [C3NH4]+ isomers can form via barrierless and exothermic pathways, for the H2CNH+• reagent the only barrierless pathway is the one leading to the production of protonated vinyl cyanide (CH2CHCNH+), a prototypical branched nitrile species that has been proposed as a likely intermediate in star forming regions and in the atmosphere of Titan. The astrochemical implications of the results are briefly addressed.
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| 7. |
- Richardson, V., et al.
(författare)
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The reactivity of methanimine radical cation (H2CNH.+) and its isomer aminomethylene (HCNH2.+) with methane
- 2021
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 775
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Tidskriftsartikel (refereegranskat)abstract
- Experimental and theoretical studies are presented on the reactions of the isomeric radical cations H2CNH+ and HCNH2+ with CH4. Ionic isomers were generated selectively by VUV dissociative photoionization of azetidine and cyclopropylamine precursors respectively. Both exclusively give H2CNH2+ plus CH3 as products, but differences are observed related to a competition between stripping and complex-mediated H-transfer. Astrochemical implications for Titan’s atmosphere are briefly discussed, where the presence of methanimine (H2CNH), a key prebiotic molecule and a potential precursor for tholins, is proposed on the basis of atmospheric models and the observation of CH2NH2+ ions in Cassini mass spectrometric data.
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| 8. |
- Sundelin, David, et al.
(författare)
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The reactivity of methanimine radical cation (H2CNH•+) and its isomer aminomethylene (HCNH2•+) with C2H4
- 2021
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 777
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Tidskriftsartikel (refereegranskat)abstract
- Experimental and theoretical studies are presented on the reactivity of H2CNH'+ (methanimine) and HCNH2'+ (aminomethylene) with ethene (C2H4). Selective isomer generation is performed via dissociative photoionization of suitable neutral precursors and reactive cross sections and branching ratios are measured as a function of photon and collision energies. Differences between isomers' reactivity are discussed in light of ab-initio calculations on reaction mechanisms. The main products, for both isomers, are H-elimination, most likely occurring from covalently bound adducts (giving c-CH2CH2CHNH+/CH2NHCHCH2+) and H' atom transfer to yield H2CNH2+. The astrochemical implications of the results are briefly addressed.
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