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

Journal of the American Chemical Society

Volumn 120, Issue 42, 1998, Pages 10921-10927

  Lee, Yun Kyoung ^a   Jeon, Seung Joon ^a   Cho, Minhaeng ^a  

^a Korea University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

POLYENE; TRIPHENYLMETHANE DERIVATIVE;

ARTICLE; CALCULATION; HYPERPOLARIZATION; MODEL; MOLECULE; OPTICS; POLARIZATION;

EID: 0032576144     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9803456     Document Type: Article

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29. Although we have only focused on a series of octupolar molecules, donor-substituted triphenylmethane dyes, a variety of other types of octupolar molecules are currently under investigation both theoretically and experimentally by the collaboration with organic chemists. We have found that most of the real octupolar molecules that can be synthesized in the lab are likely to belong to the range of BLA considered in this paper. However, if the magnitude of the charge separation is larger than e, where e is the electron charge, one may expect to see different NLO responses in comparison to those presented in this paper. Despite this possibility, it is difficult to find such a strong donor or acceptor in reality. Therefore, the argument that the BLA of the octupolar molecule is rather limited to the range from -0.12 to -0.04 Å is highly likely to be acceptable in general.