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

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.

Keywords: two-photon absorption aggregate effect hydrogen bonding organic molecule

Received: 06 May 2010
Revised: 18 May 2010
Accepted manuscript online:

PACS:	32.70.Jz	(Line shapes, widths, and shifts)
	32.80.-t	(Photoionization and excitation)
	34.70.+e	(Charge transfer)

Fund: 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).

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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 2010 Chin. Phys. B 19 103304

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

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