Two-photon absorption properties of aggregation systems on the basis of (E)-4-(2-nitrovinyl) benzenamine molecules

doi:10.1088/1674-1056/19/10/103304

中国物理B ›› 2010, Vol. 19 ›› Issue (10): 103304-103304.doi: 10.1088/1674-1056/19/10/103304

Two-photon absorption properties of aggregation systems on the basis of (E)-4-(2-nitrovinyl) benzenamine molecules

王传奎¹, 张珍¹, 丁明翠¹, 李小静¹, 赵珂¹, 孙元红²

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

收稿日期:2010-05-06 修回日期:2010-05-18 出版日期:2010-10-15 发布日期:2010-10-15
基金资助:
Project supported by the National Basic Research Program 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), and the National Natural Science Foundation of China (Grant No. 10974121).

Two-photon absorption properties of aggregation systems on the basis of (E)-4-(2-nitrovinyl) benzenamine molecules

Wang Chuan-Kui(王传奎)^a)†, Zhang Zhen(张珍)^a), Ding Ming-Cui(丁明翠)^a), Li Xiao-Jing(李小静)^a), Sun Yuan-Hong(孙元红)^b), and Zhao Ke(赵珂)^a)

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

Received:2010-05-06 Revised:2010-05-18 Online:2010-10-15 Published:2010-10-15
Supported by:
Project supported by the National Basic Research Program 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), and the National Natural Science Foundation of China (Grant No. 10974121).

摘要/Abstract

摘要： Aggregation effect caused by the intermolecular hydrogen-bonding interactions on two-photon absorption properties of (E)-4-(2-nitrovinyl) benzenamine molecules is studied at a hybrid density functional level. The geometry optimization studies indicate that there exist two probable conformations for the dimers and three for the trimers. A strong red-shift of the charge-transfer states is shown. The two-photon absorption cross sections of the molecule for certain conformations are greatly enhanced by the aggregation effect, from which a ratio of 1.0:2.6:3.6 is found for the molecule and its dimer and trimer with nearly planar structures. Namely, a 30 or 20 percent increase of the two-photon absorption cross section is observed.

Abstract: Aggregation effect caused by the intermolecular hydrogen-bonding interactions on two-photon absorption properties of (E)-4-(2-nitrovinyl) benzenamine molecules is studied at a hybrid density functional level. The geometry optimization studies indicate that there exist two probable conformations for the dimers and three for the trimers. A strong red-shift of the charge-transfer states is shown. The two-photon absorption cross sections of the molecule for certain conformations are greatly enhanced by the aggregation effect, from which a ratio of 1.0:2.6:3.6 is found for the molecule and its dimer and trimer with nearly planar structures. Namely, a 30 or 20 percent increase of the two-photon absorption cross section is observed.

Key words: two-photon absorption, aggregate effect, hydrogen bonding, organic molecule

中图分类号: (Line shapes, widths, and shifts)

32.70.Jz

32.80.-t (Photoionization and excitation) 34.70.+e (Charge transfer)

王传奎, 张珍, 丁明翠, 李小静, 孙元红, 赵珂. Two-photon absorption properties of aggregation systems on the basis of (E)-4-(2-nitrovinyl) benzenamine molecules[J]. 中国物理B, 2010, 19(10): 103304-103304.

Wang Chuan-Kui(王传奎), Zhang Zhen(张珍), Ding Ming-Cui(丁明翠), Li Xiao-Jing(李小静), Sun Yuan-Hong(孙元红), and Zhao Ke(赵珂). Two-photon absorption properties of aggregation systems on the basis of (E)-4-(2-nitrovinyl) benzenamine molecules[J]. Chin. Phys. B, 2010, 19(10): 103304-103304.

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Two-photon absorption properties of aggregation systems on the basis of (E)-4-(2-nitrovinyl) benzenamine molecules

Two-photon absorption properties of aggregation systems on the basis of (E)-4-(2-nitrovinyl) benzenamine molecules

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