Email this article A Quantum Chemical Study of Silicon-Substituent Bonds in Three-Coordinated Silicon Compounds
- Authors: Alekseev N.V.1
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Affiliations:
- State Research Institute of Chemistry and Technology of Organoelement Compounds
- Issue: Vol 60, No 11 (2019)
- Pages: 1703-1712
- Section: Article
- URL: https://journal-vniispk.ru/0022-4766/article/view/162213
- DOI: https://doi.org/10.1134/S0022476619110027
- ID: 162213
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Abstract
Spatial and electronic structures of three-coordinated silicon molecules are calculated within MP2/6-311G(2d,p) and HF/6-311++G(3df,3pd) methods using the PC GAMESS-Firefly software package. AIM and NBO methods are used to determine main characteristics of silicon-substituent bonds in these molecules. Topologically, Si-C, Si-N, Si-Cl, and Si-O bonds may be characterized as “intermediate” bonds, and Si-Si bonds are characterized as covalent bonds.
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About the authors
N. V. Alekseev
State Research Institute of Chemistry and Technology of Organoelement Compounds
Author for correspondence.
Email: nalekseev1@rambler.ru
Russian Federation, Moscow
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