Theoretical studies on the one-and two-photon absorption properties of azulenylporphyrins and azulene-fused porphyrins

被引：0

作者：

李文超 ^{[1
]}

封继康 ^{[1
,2
]}

任爱民 ^{[1
]}

张祥标 ^{[1
]}

孙家钟 ^{[1
]}

机构：

[1] State Key Laboratory of Theoretical and Computational Chemistry,Institute of Theoretical Chemistry,Jilin University

[2] College of Chemistry,Jilin University

来源：

Chinese Physics B | 2009年 / 06期

基金：

中国国家自然科学基金;

关键词：

porphyrin; azulene; two-photon absorption;

D O I：

暂无

中图分类号：

O437 [非线性光学（强光与物质的作用）];

学科分类号：

070207 ; 0803 ;

摘要：

The electronic structures, one-photon absorption (OPA) and two-photon absorption (TPA) properties of the azulenylporphyrins and azulene-fused porphyrins have been comparatively studied by using DFT/B3LYP/6-31G(d) and the ZINDO/SDCI method. With the number of azulenyl groups increasing, the OPA wavelengths of all molecules are red-shifted in 400–600 nm and the two-photon absorption cross section is gradually enlarged. The azulene-fused structures facilitate an expanding conjugated area and increasing TPA cross section. The origin of TPA properties of studied compounds is studied with a two-level model. In summary, the azulene-fused porphyrins exhibit strong two-photon absorption.

引用

页码：2271 / 2281

页数：11

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