In This paper some problems, which should be noticed in the measurements of organicmolecular first hyperpolarizability（β） by the solvatochromism , are discussed based on the resultsof the measurements for 11 compou...In This paper some problems, which should be noticed in the measurements of organicmolecular first hyperpolarizability（β） by the solvatochromism , are discussed based on the resultsof the measurements for 11 compounds .The experiments indicate theat the selection of solvent used is the basis of the method to fit for use. The determination of the parameter a, which is the radius of a spherical cavity occupied by the molecules in the solutions, is the key to decide’the reasonableness of the obtained results and the formula for a=1/2(l’+rv),has been suggestedin which l is the molecular length of the nonlinear optical active part and can be obtained fromvalues of bond lengths in literature, rv is the average spherical radius of used solvents.展开更多
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In This paper some problems, which should be noticed in the measurements of organicmolecular first hyperpolarizability（β） by the solvatochromism , are discussed based on the resultsof the measurements for 11 compounds .The experiments indicate theat the selection of solvent used is the basis of the method to fit for use. The determination of the parameter a, which is the radius of a spherical cavity occupied by the molecules in the solutions, is the key to decide’the reasonableness of the obtained results and the formula for a=1/2(l’+rv),has been suggestedin which l is the molecular length of the nonlinear optical active part and can be obtained fromvalues of bond lengths in literature, rv is the average spherical radius of used solvents.
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.
