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ELECTRONIC STRUCTURE AND CHEMICAL BOND IN 9,9,10,10-TETRAETHYNYL-9,10- DIHYDRODISILAANTHRACENE

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Abstract

Atomic and electronic structures of cyclic organosilicon compound 9,9,10,10-tetraethynyl-9,10-dihydrodisilaanthracene are studied by the density functional theory. The calculated structural parameters of this molecule are compared with the respective crystallographic values for a series of dihydrosilanthrene derivatives. Based on the calculations, the electronic structure of the studied compound is analyzed and the results are in good agreement with the X-ray emission spectroscopy data.

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Funding

The study was supported by the Southern Federal University (internal grant of the Southern Federal University for scientific research, project No. InGr-07/2020-01-IPh).

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Authors and Affiliations

  1. Southern Federal University, Research Institute of Physics, Rostov-on-Don, Russia

    M. M. Tatevosyan & V. G. Vlasenko

  2. Don State Technical University, Rostov-on-Don, Russia

    T. N. Zhukova

Authors
  1. M. M. Tatevosyan
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  2. V. G. Vlasenko
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  3. T. N. Zhukova
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Correspondence to V. G. Vlasenko.

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Russian Text © The Author(s), 2022, published in Zhurnal Strukturnoi Khimii, 2022, Vol. 63, No. 9, 98899.https://doi.org/10.26902/JSC_id98899

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Tatevosyan, M.M., Vlasenko, V.G. & Zhukova, T.N. ELECTRONIC STRUCTURE AND CHEMICAL BOND IN 9,9,10,10-TETRAETHYNYL-9,10- DIHYDRODISILAANTHRACENE. J Struct Chem 63, 1529–1537 (2022). https://doi.org/10.1134/S0022476622090141

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