Abstract

A six-electron spin correlation operator is defined. It has been applied to calculate the probability of a six-electron spin alternate arrangement in cata-benzenoid hydrocarbons by using the projective HMO wavefunction. Comparing with previous indices of local aromaticity, a new measure of Clar's aromatic sextet has been obtained from a spin-correlation ordering view.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call