Bi. Craig et Grj. Williams, ENHANCEMENT OF THE CUBIC MOLECULAR HYPERPOLARIZABILITIES OF NICKEL BENZENEDITHIOL BY DONOR AND ACCEPTOR GROUPS, Applied physics. B, Photophysics and laser chemistry, 56(5), 1993, pp. 331-334
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).