Email this article Structure of the 3-ClC6H4COCl · SnCl4 complex according to 35Сl NQR data and ab initio calculations
- Authors: Feshin V.P.1, Feshina E.V.1
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Affiliations:
- Institute of Technical Chemistry, Ural Branch
- Issue: Vol 62, No 7 (2017)
- Pages: 944-947
- Section: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/167848
- DOI: https://doi.org/10.1134/S0036023617070087
- ID: 167848
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Abstract
Calculations of two structures of the 3-ClC6H4COCl · SnCl4 complex have been performed by the MP2/LANL2DZ method, and computational results have been compared with the experimental 35Сl NQR data. It has been found that, in contrast to earlier assumptions, the complex has a common arrangement of chlorine atoms and the ligand in a strongly distorted trigonal-bipyramidal coordination sphere of the tin atom. Untypical experimental 35Сl NQR data for this complex are caused by specific features of its crystal structure.
About the authors
V. P. Feshin
Institute of Technical Chemistry, Ural Branch
Author for correspondence.
Email: vpfeshin@mail.ru
Russian Federation, Perm, 614013
E. V. Feshina
Institute of Technical Chemistry, Ural Branch
Email: vpfeshin@mail.ru
Russian Federation, Perm, 614013
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