Molecular polarizability and first hyperpolarizability of octupolar molecules: Donor-substituted triphenylmethane dyes

被引:78
作者
Lee, YK [1 ]
Jeon, SJ [1 ]
Cho, MH [1 ]
机构
[1] Korea Univ, Dept Chem, Seoul 136701, South Korea
关键词
D O I
10.1021/ja9803456
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Molecular polarizabilities and hyperpolarizabilities of a series of octupolar molecules that are donor-substituted triphenylmethane dyes are calculated. The four-state model of an octupolar molecule is used to describe the nonlinear optical properties of this type of molecules. As the charge-transfer character of the ground state is increased by using a strong donor, both the molecular polarizability and first hyperpolarizability increase monotonically. These patterns are in strong contrast with those exhibited by the linear push-pull polyene. On the basis of these results, it is suggested that a common strategy to maximize the molecular polarizability can also be used to optimize the first hyperpolarizability in the case of octupolar molecules such as triphenylmethane dyes.
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页码:10921 / 10927
页数:7
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