Second-order polarizabilities of BMC and MMONS were determined by solvatocbromic method. The second-order polarizabilities of BMC and MMONS were also calculated by quantum chemical semiempirical CNDO/S-CI method and p...Second-order polarizabilities of BMC and MMONS were determined by solvatocbromic method. The second-order polarizabilities of BMC and MMONS were also calculated by quantum chemical semiempirical CNDO/S-CI method and perturbation theory and second-order nonlinear optical data respectively. Calculated values are in good agreement with experimental results. The effect of molecular and crystal structure on second-order polarizabilities has also been discussed.展开更多
文摘Second-order polarizabilities of BMC and MMONS were determined by solvatocbromic method. The second-order polarizabilities of BMC and MMONS were also calculated by quantum chemical semiempirical CNDO/S-CI method and perturbation theory and second-order nonlinear optical data respectively. Calculated values are in good agreement with experimental results. The effect of molecular and crystal structure on second-order polarizabilities has also been discussed.