Solvent effect on quadratic hyperpolarizability of 4-(dimethylamino-4′-stilbazole)tungsten pentacarbonyl: A revisit of mechanism for second-order response

The intrinsical mechanism for the second-order response of organometallic W(CO)5DAS chromophore has been revisited and ascribed to metal-to-ligand charge transfer contribution by the DFT/TDDFT computations. The solvent sensitivity and potential applications as molecular switch devices are discussed.