Sökning: WFRF:(Yachandra Vittal K.) >
X-ray emission spec...
X-ray emission spectroscopy to study Ligand Valence Orbitals in Mn coordination complexes
-
- Smolentsev, Grigory (författare)
- So Fed Univ, Fac Phys, Rostov Na Donu 344090, Russia.;So Fed Univ, Res Ctr Nanoscale Struct Matter, Rostov Na Donu 344090, Russia.
-
- Soldatov, Alexander V (författare)
- So Fed Univ, Fac Phys, Rostov Na Donu 344090, Russia.;So Fed Univ, Res Ctr Nanoscale Struct Matter, Rostov Na Donu 344090, Russia.
-
- Messinger, Johannes (författare)
- Umeå universitet,Kemiska institutionen,Max Planck Inst Bioinorgan Chem, D-45470 Mulheim, Germany.
-
visa fler...
-
- Merz, Kathrin (författare)
- Max Planck Inst Bioinorgan Chem, D-45470 Mulheim, Germany.
-
- Weyhermller, Thomas (författare)
- Max Planck Inst Bioinorgan Chem, D-45470 Mulheim, Germany.
-
- Bergmann, Uwe (författare)
- Stanford Synchrotron Radiat Lightsource, Stanford, CA 94309 USA.
-
- Pushkar, Yulia (författare)
- Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
-
- Yano, Junko (författare)
- Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
-
- Yachandra, Vittal K (författare)
- Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
-
- Glatzel, Pieter (författare)
- European Synchrotron Radiat Facil, F-38043 Grenoble, France.
-
visa färre...
-
So Fed Univ, Fac Phys, Rostov Na Donu 344090, Russia;So Fed Univ, Res Ctr Nanoscale Struct Matter, Rostov Na Donu 344090, Russia. Kemiska institutionen (creator_code:org_t)
- 2009-08-10
- 2009
- Engelska.
-
Ingår i: Journal of the American Chemical Society. - : ACS Publications. - 0002-7863 .- 1520-5126. ; 131:36, s. 13161-13167
- Relaterad länk:
-
https://europepmc.or...
-
visa fler...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
visa färre...
Abstract
Ämnesord
Stäng
- We discuss a spectroscopic method to determine the character of chemical bonding and for the identification of metal ligands in coordination and bioinorganic chemistry. It is based on the analysis of satellite lines in X-ray emission spectra that arise from transitions between valence orbitals and the metal ion 1s level (valence-to-core XES). The spectra, in connection with calculations based on density functional theory (DFT), provide information that is complementary to other spectroscopic techniques, in particular X-ray absorption (XANES and EXAFS). The spectral shape is sensitive to protonation of ligands and allows ligands, which differ only slightly in atomic number (e.g., C, N, O...), to be distinguished. A theoretical discussion of the main spectral features is presented in terms of molecular orbitals for a series of Mn model systems: [Mn(H2O)6]2+, [Mn(H2O)5OH]+, and [Mn(H2O)5NH3]2+. An application of the method, with comparison between theory and experiment, is presented for the solvated Mn2+ ion in water and three Mn coordination complexes, namely [LMn(acac)N3]BPh4, [LMn(B2O3Ph2)(ClO4)], and [LMn(acac)N]BPh4, where L represents 1,4,7-trimethyl-1,4,7-triazacyclononane, acac stands for the 2,4-pentanedionate anion, and B2O3Ph2 represents the 1,3-diphenyl-1,3-dibora-2-oxapropane-1,3-diolato dianion.
Ämnesord
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
- NATURVETENSKAP -- Biologi -- Biokemi och molekylärbiologi (hsv//swe)
- NATURAL SCIENCES -- Biological Sciences -- Biochemistry and Molecular Biology (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas
- Av författaren/redakt...
-
Smolentsev, Grig ...
-
Soldatov, Alexan ...
-
Messinger, Johan ...
-
Merz, Kathrin
-
Weyhermller, Tho ...
-
Bergmann, Uwe
-
visa fler...
-
Pushkar, Yulia
-
Yano, Junko
-
Yachandra, Vitta ...
-
Glatzel, Pieter
-
visa färre...
- Om ämnet
-
- NATURVETENSKAP
-
NATURVETENSKAP
-
och Kemi
-
- NATURVETENSKAP
-
NATURVETENSKAP
-
och Biologi
-
och Biokemi och mole ...
- Artiklar i publikationen
-
Journal of the A ...
- Av lärosätet
-
Umeå universitet
-
Uppsala universitet