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.
Main Authors: | , , , |
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Format: | Article |
Language: | Russian |
Published: |
Tver State University
2018-12-01
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Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
Subjects: | |
Online Access: | https://physchemaspects.ru/archives/2018/fh2018-doi-10-26456-pcascnn-2018-10-368.pdf |
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. |
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ISSN: | 2226-4442 2658-4360 |