Molecular Structure of 5-Methyl-2-(trifluoromethyl)furan-3-carbonitrile According to Gas-Phase Electron Diffraction and Quantum Chemistry

A. V. Belyakov; A. D. Ivanov; V. A. Losev; A. A. Oskorbin; L. M. Pevzner; A. N. Khramov; M. L. Petrov

doi:10.1134/S0036024418070075

Molecular Structure of 5-Methyl-2-(trifluoromethyl)furan-3-carbonitrile According to Gas-Phase Electron Diffraction and Quantum Chemistry

Authors: Belyakov A.V.¹, Ivanov A.D.¹, Losev V.A.¹, Oskorbin A.A.¹, Pevzner L.M.¹, Khramov A.N.¹, Petrov M.L.¹
Affiliations:
1. St. Petersburg State Technological Institute
Issue: Vol 92, No 7 (2018)
Pages: 1441-1442
Section: Short Communications
URL: https://journal-vniispk.ru/0036-0244/article/view/170075
DOI: https://doi.org/10.1134/S0036024418070075
ID: 170075

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Abstract

The mutual influence of atoms and atomic groups is one of the most important problems of structural chemistry. Gas-phase electron diffraction allows us to obtain the geometrical parameters of molecules that describe them most accurately in the free state. Such parameters constitute the basis of modern chemistry because they contain none of the contributions from intermolecular interactions that are typical of X-ray diffraction data.