ISSN:
1349-9432
Keywords:
second hyperpolarizability
;
trithiapentalene
;
nonlinear optics
;
density functional method
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract We study the third-order optical nonlinearity for some interesting ϖ-conjugated systems involving sulfur (S) atoms. The static second hyperpolarizabilities (γ) for l, 6, 6a-trithiapentalene and its donor-and acceptor-disubstituted species are calculated by ab initio molecular orbital and density functional methods. Using the second hyperpolarizability density analysis, these molecules are found to exhibit remarkable differences in spatial ϖ-electron contributions of unusual binding structure, i.e., S-S-S bridged structure, to the longitudinal γ.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s10043-999-0232-z
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