X-ray emission study of the electronic structure of binuclear niobium complexes with (S2)2–disulfide bridging ligands

L. N. Mazalov; A. D. Fedorenko; G. K. Parygina; A. L. Gushchin; M. N. Sokolov; S. A. Dalmatova

doi:10.1134/S0022476617080200

X-ray emission study of the electronic structure of binuclear niobium complexes with (S₂)²–disulfide bridging ligands

L. N. Mazalov, A. D. Fedorenko, G. K. Parygina, A. L. Gushchin, M. N. Sokolov, S. A. Dalmatova

Результат исследования: Научные публикации в периодических изданиях › статья

3 Цитирования (Scopus)

Аннотация

The electronic structure of binuclear niobium complexes [Nb₂S₄(acac)₄] and K₄[Nb₂S₄(ox)4] is studied by X-ray emission fluorescent spectroscopy and quantum chemistry techniques. Data on the partial atomic composition of highest occupied molecular orbitals of the complexes are obtained. The energy positions of bonding and antibonding frontier molecular orbitals observed in the X-ray emission spectra of binuclear [Nb₂((S₂)^2–)₂]⁴⁺ clusters are determined by the analysis of overlap populations.

Язык оригинала	английский
Страницы (с-по)	1625-1632
Число страниц	8
Журнал	Journal of Structural Chemistry
Том	58
Номер выпуска	8
DOI	https://doi.org/10.1134/S0022476617080200
Состояние	Опубликовано - 1 дек 2017

Доступ к документу

10.1134/S0022476617080200

Link to publication in Scopus

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title = "X-ray emission study of the electronic structure of binuclear niobium complexes with (S2)2–disulfide bridging ligands",

abstract = "The electronic structure of binuclear niobium complexes [Nb2S4(acac)4] and K4[Nb2S4(ox)4] is studied by X-ray emission fluorescent spectroscopy and quantum chemistry techniques. Data on the partial atomic composition of highest occupied molecular orbitals of the complexes are obtained. The energy positions of bonding and antibonding frontier molecular orbitals observed in the X-ray emission spectra of binuclear [Nb2((S2)2–)2]4+ clusters are determined by the analysis of overlap populations.",

keywords = "binuclear niobium complexes, bridging disulfide ligands, X-ray emission spectroscopy",

author = "Mazalov, {L. N.} and Fedorenko, {A. D.} and Parygina, {G. K.} and Gushchin, {A. L.} and Sokolov, {M. N.} and Dalmatova, {S. A.}",

year = "2017",

month = dec,

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doi = "10.1134/S0022476617080200",

language = "English",

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X-ray emission study of the electronic structure of binuclear niobium complexes with (S₂)²–disulfide bridging ligands. / Mazalov, L. N.; Fedorenko, A. D.; Parygina, G. K.; Gushchin, A. L.; Sokolov, M. N.; Dalmatova, S. A.

В: Journal of Structural Chemistry, Том 58, № 8, 01.12.2017, стр. 1625-1632.

Результат исследования: Научные публикации в периодических изданиях › статья

TY - JOUR

T1 - X-ray emission study of the electronic structure of binuclear niobium complexes with (S2)2–disulfide bridging ligands

AU - Mazalov, L. N.

AU - Fedorenko, A. D.

AU - Parygina, G. K.

AU - Gushchin, A. L.

AU - Sokolov, M. N.

AU - Dalmatova, S. A.

PY - 2017/12/1

Y1 - 2017/12/1

N2 - The electronic structure of binuclear niobium complexes [Nb2S4(acac)4] and K4[Nb2S4(ox)4] is studied by X-ray emission fluorescent spectroscopy and quantum chemistry techniques. Data on the partial atomic composition of highest occupied molecular orbitals of the complexes are obtained. The energy positions of bonding and antibonding frontier molecular orbitals observed in the X-ray emission spectra of binuclear [Nb2((S2)2–)2]4+ clusters are determined by the analysis of overlap populations.

AB - The electronic structure of binuclear niobium complexes [Nb2S4(acac)4] and K4[Nb2S4(ox)4] is studied by X-ray emission fluorescent spectroscopy and quantum chemistry techniques. Data on the partial atomic composition of highest occupied molecular orbitals of the complexes are obtained. The energy positions of bonding and antibonding frontier molecular orbitals observed in the X-ray emission spectra of binuclear [Nb2((S2)2–)2]4+ clusters are determined by the analysis of overlap populations.

KW - binuclear niobium complexes

KW - bridging disulfide ligands

KW - X-ray emission spectroscopy

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U2 - 10.1134/S0022476617080200

DO - 10.1134/S0022476617080200

M3 - Article

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SP - 1625

EP - 1632

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 8

ER -