The torsional stability around a single bond analyzed by extended Huckel orbital forces

Abstract

A simple pencil and paper method to calculate the forces acting on individual atoms in a molecule, due to the electrons in the different populated molecular orbitals, has been developed within the Extended Huckel formalism. The method is applied to study the torsional stability around a single bond of some simple molecules. The results show good agreement with the experimental evidence of stable conformers.