ENHANCEMENT OF THE CUBIC MOLECULAR HYPERPOLARIZABILITIES OF NICKEL BENZENEDITHIOL BY DONOR AND ACCEPTOR GROUPS

In this paper the enhancement of the values of the cubic molecular hyp erpolarizability gamma of the nickel benzendithiol system, resulting f rom the selective addition of acceptor and donor groups to the ligand structure, is presented. The polarization of the molecular electronic structure is calculated by the finite field method. Significant increa ses in the values of gamma are obtained from bridging two p-nitroanili ne molecules with the square planar nickel structure. These results sh ow that structures with significant values of chi(2) that are derived from the inclusion of donor and acceptor groups might also be included into the ligands of the nickel dithiolene complex to give rise to mat erials with enhanced values of chi(3).