STERIC EFFECT IN DIFLUORINEALCANE MOLECULES

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