Electronic Structure of Branched Hydrocarbons in the Framework of Quantum Theory of Atoms in Molecules:  iso - and  tert -Alkanes

E. M. Chernova; V. V. Turovtsev; Yu. D. Orlov

doi:10.1134/S1990793118060040

Electronic Structure of Branched Hydrocarbons in the Framework of Quantum Theory of Atoms in Molecules: iso- and tert-Alkanes

Authors: Chernova E.M.¹, Turovtsev V.V.¹^,2, Orlov Y.D.¹
Affiliations:
1. Tver State University
2. Tver State Medical University
Issue: Vol 12, No 6 (2018)
Pages: 965-969
Section: Structure of Chemical Compounds. Spectroscopy
URL: https://journal-vniispk.ru/1990-7931/article/view/201242
DOI: https://doi.org/10.1134/S1990793118060040
ID: 201242

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Abstract

The distribution of electron densities of the symmetrical branched alkanes of the types (CH₃(CH₂)_n)₃CH and (CH₃(CH₂)_n)₄C is studied using the quantum theory of atoms in molecules. The integral electronic characteristics of standard CH and C groups are defined. The distance of the induction of the influence of CH and C groups in a C–C branched chain in alkanes is established, and the steric effect of the hydrocarbon substituents is considered.