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.

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Bibliographische Detailangaben
Veröffentlicht in:	Fiziko-himičeskie aspekty izučeniâ klasterov, nanostruktur i nanomaterialov (Online) nanostruktur i nanomaterialov (Online), 2018-12 (10), p.368-373
Hauptverfasser:	Kotomkin, A.V., Rusakova, N.P., Turovtsev, V.V., Orlov, Yu.D.
Format:	Artikel
Sprache:	eng ; rus
Schlagworte:	electron charge density electronegativity quantum theory of atoms in molecules ranched fluorinealkanes steric effect
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	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
DOI:	10.26456/pcascnn/2018.10.368