Electronic Structure of Branched Hydrocarbons in the Framework of Quantum Theory of Atoms in Molecules: iso- and tert-Alkanes

Resumo

The distribution of electron densities of the symmetrical branched alkanes of the types (CH₃(CH₂)_n)₃CH and (CH₃(CH₂)_n)₄C is studied using the quantum theory of atoms in molecules. The integral electronic characteristics of standard CH and C groups are defined. The distance of the induction of the influence of CH and C groups in a C–C branched chain in alkanes is established, and the steric effect of the hydrocarbon substituents is considered.