Based on the molecular polarizability effect index,a formula of three parameters was proposed to calculate the boiling point of aliphatic aldehydes and alkanones.ln（820.5-Tb）=6.38330-1.37357×10-1Nc+5.39350ΔE...Based on the molecular polarizability effect index,a formula of three parameters was proposed to calculate the boiling point of aliphatic aldehydes and alkanones.ln（820.5-Tb）=6.38330-1.37357×10-1Nc+5.39350ΔEPI+8.02603×10-2NWhere the Nc is the effective length of carbon chain of alkyl group in the aliphatic aldehydes and alkanones.The ΔPEI is the polarizability effect index difference between the corresponding branched and normal alkyl isomer containing the same carbon atom number,which expressed the effcet of carbonyl group on the boiling point of ali-phatic aldehydes and alkanones.N is the carbon numbers of aliphatic aldehydes and alkanones.展开更多
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
文摘Based on the molecular polarizability effect index,a formula of three parameters was proposed to calculate the boiling point of aliphatic aldehydes and alkanones.ln（820.5-Tb）=6.38330-1.37357×10-1Nc+5.39350ΔEPI+8.02603×10-2NWhere the Nc is the effective length of carbon chain of alkyl group in the aliphatic aldehydes and alkanones.The ΔPEI is the polarizability effect index difference between the corresponding branched and normal alkyl isomer containing the same carbon atom number,which expressed the effcet of carbonyl group on the boiling point of ali-phatic aldehydes and alkanones.N is the carbon numbers of aliphatic aldehydes and alkanones.
基金financially supported by the National Natural Science Foundation of China (22071069 and 22275060)technical support from the Analytical and Testing Center at Huazhong University of Science and Technology。
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.
