Research output: Contribution to journal › Article › peer-review
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. et al.
In: Journal of Structural Chemistry, Vol. 58, No. 8, 01.12.2017, p. 1625-1632.Research output: Contribution to journal › Article › peer-review
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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
UR - http://www.scopus.com/inward/record.url?scp=85041559260&partnerID=8YFLogxK
U2 - 10.1134/S0022476617080200
DO - 10.1134/S0022476617080200
M3 - Article
AN - SCOPUS:85041559260
VL - 58
SP - 1625
EP - 1632
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
SN - 0022-4766
IS - 8
ER -
ID: 9640478