Electronic integral characteristics of groups in the fluoro-substituted of isobutan and neopentan
A.V. Kotomkin, N.P. Rusakova, V.V. Turovtsev, Yu.D. Orlov
Tver State University
Tver State Medical University
Abstract: 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.
Keywords: branched fluorinealkanes, electronegativity, quantum theory of atoms in molecules, electron charge density, steric effect.
Kotomkin, A.V. Electronic integral characteristics of groups in the fluoro-substituted of isobutan and neopentan / 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, 2018. – I. 10. – P. 368-373.
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