The Torsional Stability Around a Single Bond Analyzed by Extended Huckel Orbital Forces

摘要

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.