STUDYING THE ELECTRONIC STRUCTURE OF TRINUCLEAR MOLYBDENUM CLUSTER SULFIDES WITH {Mo3S4} AND {Mo3S7} CORES BY X-RAY SPECTROSCOPY

被引：1

作者：

Fedorenko, A. D. ^{[1
]}

Semushkina, G., I ^{[1
]}

Peregudova, N. N. ^{[1
]}

Lavrukhina, S. A. ^{[1
]}

Gushchin, A. L. ^{[1
]}

Fomenko, Ya S. ^{[1
]}

Sokolov, M. N. ^{[1
]}

Gusel'nikov, A., V ^{[1
]}

Kalinkin, A., V ^{[2
]}

Nikolenko, A. D. ^{[2
,3
]}

Ivlyushkin, D., V ^{[3
]}

Zavertkin, P. S. ^{[3
]}

Mazalov, L. N. ^{[1
]}

机构：

[1] Russian Acad Sci, Nikolaev Inst Inorgan Chem, Siberian Branch, Novosibirsk, Russia

[2] Russian Acad Sci, Boreskov Inst Catalysis, Siberian Branch, Novosibirsk, Russia

[3] Russian Acad Sci, Budker Inst Nucl Phys, Siberian Branch, Novosibirsk, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2021年 / 62卷 / 06期

关键词：

trinuclear molybdenum cluster sulfides; XES; XANES; XPS; density functional theory; electronic structure; BASIS-SETS; TETRANUCLEAR MOLYBDENUM; SYNCHROTRON-RADIATION; COMPLEXES; HYDROGENATION; VALENCE; XPS; MO;

D O I：

10.1134/S0022476621060056

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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)(8)H2O]Cl-4 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.

引用

页码：853 / 864

页数：12

共 50 条

[21] RESEARCH ON TRINUCLEAR MOLYBDENUM CLUSTER COMPOUNDS——CRYSTAL AND MOLECULAR STRUCTURE OF Mo3（μ3-S）(μ2-S2)3[S2P（OEt）2]3Cl [J].

商茂虞 ;

黄金陵 ;

卢嘉锡 .

Science China Chemistry, 1985, (04) :351-358

[22] RESEARCH ON TRINUCLEAR MOLYBDENUM CLUSTER COMPOUNDS——CRYSTAL AND MOLECULAR STRUCTURE OF Mo3（μ3—O）(μ2—S2)3[S2P（OEt）2]3I [J].

商茂虞 ;

黄金陵 ;

卢嘉锡 .

Science China Chemistry, 1985, (07) :688-696

[23] Hydrogenation of sulfoxides to sulfides mediated by incomplete cubane-type Mo3S4 clusters: synthetic applications and mechanistic insights [J].

Mateu-Campos, Juanjo ;

Gutierrez-Blanco, Maria ;

Guillamon, Eva ;

Safont, Vicent S. ;

Llusar, Rosa .

CATALYSIS SCIENCE & TECHNOLOGY, 2024, 14 (23) :6845-6853

[24] Capture of the [Mo3S4]4+ Cluster within a {Mo18} Macrocycle Yielding a Supramolecular Assembly Stabilized by a Dynamic H-Bond Network [J].

Duval, Sylvain ;

Floquet, Sebastien ;

Simonnet-Jegat, Corine ;

Marrot, Jerome ;

Biboum, Rosa Ngo ;

Keita, Bineta ;

Nadjo, Louis ;

Haouas, Mohamed ;

Taulelle, Francis ;

Cadot, Emmanuel .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2010, 132 (06) :2069-2077

[25] Haldane Phase in the Hubbard Model at 2/3-Filling for the Organic Molecular Compound Mo3S7(dmit)3 [J].

Janani, C. ;

Merino, J. ;

McCulloch, I. P. ;

Powell, B. J. .

PHYSICAL REVIEW LETTERS, 2014, 113 (26)

[26] Kinetic and DFT Studies on the Mechanism of C-S Bond Formation by Alkyne Addition to the [Mo3S4(H2O)9]4+ Cluster [J].

Angel Pino-Chamorro, Jose ;

Algarra, Andres G. ;

Jesus Fernandez-Trujillo, M. ;

Hernandez-Molina, Rita ;

Basallote, Manuel G. .

INORGANIC CHEMISTRY, 2013, 52 (24) :14334-14342

[27] Electronic structure of Ni and Mo silicides investigated by x-ray emission spectroscopy and density functional theory [J].

Jarrige, Ignace ;

Capron, Nathalie ;

Jonnard, Philippe .

PHYSICAL REVIEW B, 2009, 79 (03)

[28] ThereactivitiesofMocluster——Aselectivesubstitutionreactionofthebridging（dtp）ligandandthecrystalstructureof{Mo3S4（μ-O2CR）(dtp)3（Py）} [J].

EU Shao-Fang HUANG Jian-Quan HUANG Ming-Dong HUANG Jin-Lin Fujian Institute of Research on the Structure of Matter ;

Chinese Academy of Sciences ;

Fuzhou ;

Fujian .

Acta Chimica Sinica(English Edition), 1989, (01) :24-36

[29] On the catalytic transfer hydrogenation of nitroarenes by a cubane-type Mo3S4 cluster hydride: disentangling the nature of the reaction mechanism [J].

Safont, Vicent S. ;

Sorribes, Ivan ;

Andres, Juan ;

Llusar, Rosa ;

Oliva, Monica ;

Ryzhikov, Maxim R. .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 21 (31) :17221-17231

[30] Ligand Substitution in the Cluster Complex [Mo3S7Cl6]2-: Synthesis and Crystal Structure of (Et4N)[Mo3S7Cl5(CH3CN)] [J].

Adonin, S. A. ;

Virovets, A. V. ;

Sokolov, M. N. ;

Fedin, V. P. .

RUSSIAN JOURNAL OF COORDINATION CHEMISTRY, 2010, 36 (12) :871-875

← 1 2 3 4 5 →