Name: STERIC EFFECT IN DIFLUORINEALCANE MOLECULES
Keywords: fluorinealkanes, electron charge density, Physical and theoretical chemistry, QD450-801, steric effect, quantum theory of atoms in molecules, electronegativity

descriptionPublicationkeyboard_double_arrow_right Article , Other literature type 16 Dec 2019Publisher:Tver State UniversityJournal:Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials (issn: 2226-4442,

Authors: A.V. Kotomkin; N.P. Rusakova; V.V. Turovtsev; Yu.D. Orlov;

doi: 10.26456/pcascnn/2019.11.478

STERIC EFFECT IN DIFLUORINEALCANE MOLECULES

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Abstract

Fifteen conformers of the CHF2 – (CH2)6 – CH3 molecule were found. Within a «quantum theory of atoms in molecules», their equilibrium geometry, total energies and the electron structure were studied. Analysis and comparison of electron parameters revealed in some structures a steric effect from CHF2.

Related Organizations

Tver State Medical University
Russian Federation
Tver State University
Russian Federation

Keywords

fluorinealkanes, electron charge density, Physical and theoretical chemistry, QD450-801, steric effect, quantum theory of atoms in molecules, electronegativity

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