Theoretical Studies on Several TPA Materials with Three Different π Electron Centers

Abstract

Abstract: Using density functional theory and ZINDO method, the two-photon absorption(TPA) cross section( δ ) and nonlinear third-order optical hyperpolarizabilities( γ ) of several TPA materials with three different π electron centers(diphenylacetylene, stilbene and azobenzene) were theoretically investigated. On the basis of correct geometry and UV-Vis spectrum, the position and strength of the one-photon absoorption(OPA) and two-photon(TPA) were studied and compared systematically.

Key words: π-Electron center, Substituent, Two-photon absorption cross-section

CLC Number:

O641

TrendMD:

YANG Li, REN Ai-Min, FENG Ji-Kang, LIU Xiao-Juan, ZHOU Xin . Theoretical Studies on Several TPA Materials with Three Different π Electron Centers[J]. Chem. J. Chinese Universities, 2004, 25(3): 526.

References

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