Electronic integral characteristics of groups in the fluoro-substituted of isobutan and neopentan

Electronic integral characteristics of groups in the fluoro-substituted of isobutan and neopentan

Within a «quantum theory of atoms in molecules» (QTAIM) the equilibrium geometry and the electron structure of fluoro-substituted molecules (CH3)2−CH−CH(3-n)Fn and (CH3)3−C−CH(3-n)Fn, where 1 ≤ n ≤ 3, were studied. Intramolecular interactions also discussed.

Bibliographic Details
Main Authors: A.V. Kotomkin, N.P. Rusakova, V.V. Turovtsev, Yu.D. Orlov
Format: Article
Language:Russian
Published: Tver State University 2018-12-01
Series:Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
Subjects:
ranched fluorinealkanes
electronegativity
quantum theory of atoms in molecules
electron charge density
steric effect
Online Access:https://physchemaspects.ru/archives/2018/fh2018-doi-10-26456-pcascnn-2018-10-368.pdf
Description
Summary:Within a «quantum theory of atoms in molecules» (QTAIM) the equilibrium geometry and the electron structure of fluoro-substituted molecules (CH3)2−CH−CH(3-n)Fn and (CH3)3−C−CH(3-n)Fn, where 1 ≤ n ≤ 3, were studied. Intramolecular interactions also discussed.
ISSN:2226-4442
2658-4360

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