Studying the Electronic Structure of Trinuclear Molybdenum Cluster Sulfides with {Mo3S4} and {Mo3S7} Cores by X-ray Spectroscopy Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 2021, Volume: 62, Number: 6, Pages: 853–864 Pages count : 12 DOI: 10.1134/S0022476621060056 | ||||||
Tags | trinuclear molybdenum cluster sulfides, XES, XANES, XPS, density functional theory, electronic structure | ||||||
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Abstract:
A comprehensive study of the electronic structure of trinuclear molybdenum complexes (NH4)2[Mo3S13] and [Mo3S7(dtc)3]Br with cluster core {Mo3S7} and [Mo3S4(tu)8H2O]Cl4 complexes with cluster core {Mo3S4} is conducted by X-ray emission spectroscopy (XES), X-ray photoelectron spectroscopy (XPS), X-ray absorption near edge structure (XANES) spectroscopy, and quantum chemistry methods. Data were obtained on the partial atomic composition of the highest occupied molecular orbitals and unoccupied molecular orbitals and the nature of atomic interactions within cluster cores.
Cite:
Fedorenko A.D.
, Semushkina G.I.
, Peregudova N.N.
, Lavrukhina S.A.
, Gushchin A.L.
, Fomenko Y.S.
, Sokolov M.N.
, Gusel'nikov A.V.
, Kalinkin A.V.
, Nikolenko A.D.
, Ivlyushkin D.V.
, Zavertkin P.S.
, Mazalov L.N.
Studying the Electronic Structure of Trinuclear Molybdenum Cluster Sulfides with {Mo3S4} and {Mo3S7} Cores by X-ray Spectroscopy
Journal of Structural Chemistry. 2021. V.62. N6. P.853–864. DOI: 10.1134/S0022476621060056 WOS Scopus РИНЦ AN OpenAlex
Studying the Electronic Structure of Trinuclear Molybdenum Cluster Sulfides with {Mo3S4} and {Mo3S7} Cores by X-ray Spectroscopy
Journal of Structural Chemistry. 2021. V.62. N6. P.853–864. DOI: 10.1134/S0022476621060056 WOS Scopus РИНЦ AN OpenAlex
Dates:
Submitted: | Jan 13, 2021 |
Accepted: | Feb 5, 2021 |
Published print: | Jun 1, 2021 |
Published online: | Jun 25, 2021 |
Identifiers:
Web of science: | WOS:000667904000005 |
Scopus: | 2-s2.0-85111172672 |
Elibrary: | 46921042 |
Chemical Abstracts: | 2021:1416690 |
OpenAlex: | W3176679907 |