Dipole Moments of 4-n Alkyl-4′-Cyanobiphenyl Molecules (from OCB to 12CB) Measurement in Four Solvents and Theoretical Calculations
Dipole Moments of 4-n Alkyl-4′-Cyanobiphenyl Molecules (from OCB to 12CB) Measurement in Four Solvents and Theoretical Calculations
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4-n 烷基-4-氰基联苯分子（从 OCB 到 12CB）在四种溶剂中的偶极矩测量和理论计算
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发表时间：
1986
期刊：
影响因子：
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通讯作者：
A. Proutière
中科院分区：
文献类型：
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作者：
K. P. Gueu;E. Megnassan;A. Proutière
摘要本文详细介绍了在环己烷、正己烷、苯和四氯化碳四种不同溶剂中高度稀释的nCB分子介电常数的测量结果。从这些实验值中，我们推导出无限稀释时分子偶极矩μ的表观值。对μ随烷基尾碳原子数n变化的研究表明，在前两种溶剂中，n大于6时的变化与n小于6时的变化不同;另一方面，在苯和四氯化碳中没有观察到显著差异。这些结果进行了评论和理论计算，以寻找一个连贯的解释。采用分子力学方法计算了分子能量，用D.I.D.方法计算了分子偶极矩。法
Abstract We report here a detailed description of our measurements on dielectric constants in nCB molecules highly diluted in four different solvents: cyclohexane, n hexane, benzene and carbon tetrachloride. From those experimental values we deduce at infinite dilution apparent values of molecular dipole moments μ. The study of the variation of μ versus the number n of carbon atoms in the alkyl tail shows that in the first two solvents variation for n greater than 6 is different from variation for n lower than 6; on the other hand no significant difference is observed in benzene and carbon tetrachloride. These results are commented upon and theoretical calculations are executed in order to search for a coherent explanation. Two kinds of calculation have been undertaken: molecular energies with Molecular Mechanics method and molecular dipole moments with D.I.D. method.