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 |
||||||
|---|---|---|---|---|---|---|---|
| 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 | ||||||
| Authors |
|
||||||
| Affiliations |
|
Funding (2)
| 1 | Russian Foundation for Basic Research | 18-03-01061 |
| 2 | Ministry of Science and Higher Education of the Russian Federation | 05.621.21.0022 (RFMEFI62119X0022) (АААА-А20-120072290017-9) |
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
Original:
Федоренко А.Д.
, Семушкина Г.И.
, Перегудова Н.Н.
, Лаврухина С.А.
, Гущин А.Л.
, Фоменко Я.С.
, Соколов М.Н.
, Гусельников А.В.
, Калинкин А.В.
, Николенко А.Д.
, Ивлюшкин Д.В.
, Заверткин П.С.
, Мазалов Л.Н.
Изучение особенностей электронной структуры сульфидных трехъядерных комплексов молибдена с кластерными ядрами {Mo3S4} и {Mo3S7} методами рентгеновской спектроскопии
Журнал структурной химии. 2021. Т.62. №6. С.921-933. DOI: 10.26902/jsc_id74418 РИНЦ OpenAlex
Изучение особенностей электронной структуры сульфидных трехъядерных комплексов молибдена с кластерными ядрами {Mo3S4} и {Mo3S7} методами рентгеновской спектроскопии
Журнал структурной химии. 2021. Т.62. №6. С.921-933. DOI: 10.26902/jsc_id74418 РИНЦ 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 |