Theoretical studies on two-photon absorption properties of newly synthesized triaryl boron-based A-π-A and triaryl nitrogen-based D-π-D quadrupolar compounds

被引：17

作者：

Tao, Li-Min ^{[1
]}

Guo, Ya-Hui ^{[1
]}

Huang, Xiao-Ming ^{[1
]}

Wang, Chuan-Kui ^{[1
]}

机构：

[1] Shandong Normal Univ, Coll Phys & Elect, Jinan 250014, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 425卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2006.04.096

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The nonlinear optical properties of newly synthesized triaryl boron-based A-pi-A and triaryl nitrogen-based D-pi-D compounds have been studied with hybrid density functional theory. The generalized few-state model is employed to calculate two-photon absorption cross sections of the compounds. It is found that boron-based A-pi-A compounds have large two-photon absorption cross sections. Moreover, the length of pi center has larger effect on the one- and two-photon absorption properties of boron-based A-pi-A compounds than those of nitrogen-based D-pi-D compounds. The numerical simulation shows that boron-based A-pi-A compounds have similar performance as nitrogen-based D-pi-D analogues in regard to nonlinear optical properties. Boron-based A-pi-A compounds are promising candidates for large two-photon absorption materials. The theoretical results are in good agreement with the available experimental measurements. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：10 / 15

页数：6