Highly dipolar, optically nonlinear adducts of tetracyano-p-quinodimethane: synthesis, physical characterization, and theoretical aspects

The synthesis, physical characterization and theoretical aspects of a new series of nonlinear optical molecules were investigated using nuclear magnetic resonance spectroscopy and quantum-chemical calculations. The molecules which were synthesized via the reaction of tertiary amines with tetracyano-p-quinodimethane, were found to exhibit a charge-separated ground state structure. The polarization properties of the molecules were also found to evolve with increasing solvent polarity.