The theoretical studies on the two-photon absorption properties of symmetric 1,4-bis{2-[4-(2-aryl)phenyl]vinyl}-2,5-bisdialkoxybenzenes

doi:10.1088/1674-1056/19/8/083102

中国物理B ›› 2010, Vol. 19 ›› Issue (8): 83102-083102.doi: 10.1088/1674-1056/19/8/083102

The theoretical studies on the two-photon absorption properties of symmetric 1,4-bis{2-[4-(2-aryl)phenyl]vinyl}-2,5-bisdialkoxybenzenes

李晶¹, 王传奎¹, 孙元红², 李龙禾²

(1)College of Physics and Electronics, Shandong Normal University, Jinan 250014, China; (2)Fundamental Division of Shandong Police College, Jinan 250014, China

收稿日期:2009-12-01 修回日期:2009-12-24 出版日期:2010-08-15 发布日期:2010-08-15
基金资助:
Project supported by the State Key Development Program for Basic Research of China (Grant No. 2006CB806000), the Open Fund of the State Key Laboratory of High Field Laser Physics (Shanghai Institute of Optics and Fine Mechanics), Higher Educational Science and Technology Program of Shandong Province (Grant No. J09LA13).

The theoretical studies on the two-photon absorption properties of symmetric 1,4-bis{2-[4-(2-aryl)phenyl]vinyl}-2,5-bisdialkoxybenzenes

Sun Yuan-Hong(孙元红)^a)†, Li Long-He(李龙禾)^a), Li Jing(李晶)^b), and Wang Chuan-Kui(王传奎)^b)

^a Fundamental Division of Shandong Police College, Jinan 250014, China; ^b College of Physics and Electronics, Shandong Normal University, Jinan 250014, China

Received:2009-12-01 Revised:2009-12-24 Online:2010-08-15 Published:2010-08-15
Supported by:
Project supported by the State Key Development Program for Basic Research of China (Grant No. 2006CB806000), the Open Fund of the State Key Laboratory of High Field Laser Physics (Shanghai Institute of Optics and Fine Mechanics), Higher Educational Science and Technology Program of Shandong Province (Grant No. J09LA13).

摘要/Abstract

摘要： On the level of the time-dependent hybrid density functional theory, the one- and two-photon absorption properties of a series of symmetric 4-bis 2-[4-(2-ary12) phenyl]vinyl-2,5-bisdialkoxybenzenes are studied respectively utilizing the analytic response theory and the few-state model methods. The calculated results show that the planarity of the geometrical structure plays a great role in enhancing the linear and nonlinear optical abilities of the molecule. However the effect of the length of the chain linked to the π-centre on the optical property is very little. For the investigated compounds, the A–π–A type charge-transfer molecules display more superior one- and two-photon absorption characteristics than the D–π–D type ones. Furthermore, the two-photon absorption results by use of few-state model are generally consistent with those by analytic response theory, demonstrating the reliability of the few-state model for evaluating the two-photon absorption cross section. The numerical simulations are in good agreement in tendency with the available experimental measurements.

Abstract: On the level of the time-dependent hybrid density functional theory, the one- and two-photon absorption properties of a series of symmetric 4-bis 2-[4-(2-ary12) phenyl]vinyl-2,5-bisdialkoxybenzenes are studied respectively utilizing the analytic response theory and the few-state model methods. The calculated results show that the planarity of the geometrical structure plays a great role in enhancing the linear and nonlinear optical abilities of the molecule. However the effect of the length of the chain linked to the $\pi$-centre on the optical property is very little. For the investigated compounds, the A–$\pi$–A type charge-transfer molecules display more superior one- and two-photon absorption characteristics than the D–$\pi$–D type ones. Furthermore, the two-photon absorption results by use of few-state model are generally consistent with those by analytic response theory, demonstrating the reliability of the few-state model for evaluating the two-photon absorption cross section. The numerical simulations are in good agreement in tendency with the available experimental measurements.

Key words: two-photon absorption, analytic response theory, few-state model

中图分类号: (Photon interactions with molecules)

33.80.-b

34.70.+e (Charge transfer)

孙元红, 李龙禾, 李晶, 王传奎. The theoretical studies on the two-photon absorption properties of symmetric 1,4-bis{2-[4-(2-aryl)phenyl]vinyl}-2,5-bisdialkoxybenzenes[J]. 中国物理B, 2010, 19(8): 83102-083102.

Sun Yuan-Hong(孙元红), Li Long-He(李龙禾), Li Jing(李晶), and Wang Chuan-Kui(王传奎). The theoretical studies on the two-photon absorption properties of symmetric 1,4-bis{2-[4-(2-aryl)phenyl]vinyl}-2,5-bisdialkoxybenzenes[J]. Chin. Phys. B, 2010, 19(8): 83102-083102.

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The theoretical studies on the two-photon absorption properties of symmetric 1,4-bis{2-[4-(2-aryl)phenyl]vinyl}-2,5-bisdialkoxybenzenes

The theoretical studies on the two-photon absorption properties of symmetric 1,4-bis{2-[4-(2-aryl)phenyl]vinyl}-2,5-bisdialkoxybenzenes

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