Steric effect in difluorinealcane molecules
A.V. Kotomkin1,2, N.P. Rusakova1, V.V. Turovtsev1,2, Yu.D. Orlov1
1Tver State University, Tver, Russia
2Tver State Medical University, Tver, Russia
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.
Keywords: steric effect, electronegativity, quantum theory of atoms in molecules, electron charge density, fluorinealkanes.
Kotomkin, A.V. Steric effect in difluorinealcane molecules / A.V. Kotomkin, N.P. Rusakova, V.V. Turovtsev et al. // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials: Interuniversity collection of proceedings / Ed. by V.M. Samsonov, N.Yu. Sdobnyakov. – Tver: TSU, 2019. – I. 11. – P. 478-486.
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