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

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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.

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Funding

The reported study was funded by RFBR, project number 18-03-01061 a.

The XANES spectra of trinuclear complexes were recorded on the equipment of the shared research center SSTRC on the basis of the VEPP-4 - VEPP-2000 complex at BINP SB RAS, using equipment supported by project RFMEFI62119X0022. The XPS spectra were recorded on the equipment of the Center of Collective Use “National Center of Catalyst Research” (IC SB RAS).

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Authors and Affiliations

  1. Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    A. D. Fedorenko, G. I. Semushkina, N. N. Peregudova, S. A. Lavrukhina, A. L. Gushchin, Ya. S. Fomenko, M. N. Sokolov, A. V. Gusel′nikov & L. N. Mazalov

  2. Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    A. V. Kalinkin & A. D. Nikolenko

  3. Budker Institute of Nuclear Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    A. D. Nikolenko, D. V. Ivlyushkin & P. S. Zavertkin

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  1. A. D. Fedorenko
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  2. G. I. Semushkina
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  3. N. N. Peregudova
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  8. A. V. Gusel′nikov
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  13. L. N. Mazalov
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Correspondence to A. D. Fedorenko.

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Russian Text © The Author(s), 2021, published in Zhurnal Strukturnoi Khimii, 2021, Vol. 62, No. 6, pp. 921-933.https://doi.org/10.26902/JSC_id74418

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Fedorenko, A.D., Semushkina, G.I., Peregudova, N.N. et al. STUDYING THE ELECTRONIC STRUCTURE OF TRINUCLEAR MOLYBDENUM CLUSTER SULFIDES WITH {Mo3S4} AND {Mo3S7} CORES BY X-RAY SPECTROSCOPY. J Struct Chem 62, 853–864 (2021). https://doi.org/10.1134/S0022476621060056

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