The aggregation effects on the two-photon absorption properties of para-nitroaniline polymers by hydrogen-bond interactions

doi:10.1088/1674-1056/19/4/044207

中国物理B ›› 2010, Vol. 19 ›› Issue (4): 44207-044207.doi: 10.1088/1674-1056/19/4/044207

The aggregation effects on the two-photon absorption properties of para-nitroaniline polymers by hydrogen-bond interactions

李晶¹, 赵珂¹, 王传奎¹, 孙元红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:2009-04-18 修回日期:2009-07-16 出版日期:2010-04-15 发布日期:2010-04-15
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), Natural Science Foundatio

The aggregation effects on the two-photon absorption properties of para-nitroaniline polymers by hydrogen-bond interactions

Sun Yuan-Hong(孙元红)^a)†, Li Jing(李晶)^b), Zhao Ke(赵珂)^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:2009-04-18 Revised:2009-07-16 Online:2010-04-15 Published:2010-04-15
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), Natural Science Foundatio

摘要/Abstract

摘要： This paper has theoretically designed a series of aggregate polymers on the basis of several para-nitroaniline monomers by hydrogen-bond interactions. At the level of time-dependent hybrid density functional theory, it has optimized their geometrical structures and studied their two-photon absorption (TPA) properties by using analytical response theory. The calculated results exhibit that the aggregation effects not only bring out the considerable red shift of the excited energies but also greatly enhance the TPA intensities of the aggregate polymers in comparison with the para-nitroaniline monomer. The aggregate configurations also have an important influence on the TPA abilities of the polymers; the trimer has the largest TPA cross section. The electron transitions between the molecular orbits involving the strong TPA excitations of the trimer are depicted to illuminate the relationship between the intermolecular charge transfer and the TPA property.

Abstract: This paper has theoretically designed a series of aggregate polymers on the basis of several para-nitroaniline monomers by hydrogen-bond interactions. At the level of time-dependent hybrid density functional theory, it has optimized their geometrical structures and studied their two-photon absorption (TPA) properties by using analytical response theory. The calculated results exhibit that the aggregation effects not only bring out the considerable red shift of the excited energies but also greatly enhance the TPA intensities of the aggregate polymers in comparison with the para-nitroaniline monomer. The aggregate configurations also have an important influence on the TPA abilities of the polymers; the trimer has the largest TPA cross section. The electron transitions between the molecular orbits involving the strong TPA excitations of the trimer are depicted to illuminate the relationship between the intermolecular charge transfer and the TPA property.

Key words: two-photon absorption, aggregation effect, analytical response theory

中图分类号: (Polymers, elastomers, and plastics)

61.41.+e

孙元红, 李晶, 赵珂, 王传奎. The aggregation effects on the two-photon absorption properties of para-nitroaniline polymers by hydrogen-bond interactions[J]. 中国物理B, 2010, 19(4): 44207-044207.

Sun Yuan-Hong(孙元红), Li Jing(李晶), Zhao Ke(赵珂), and Wang Chuan-Kui(王传奎). The aggregation effects on the two-photon absorption properties of para-nitroaniline polymers by hydrogen-bond interactions[J]. Chin. Phys. B, 2010, 19(4): 44207-044207.

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The aggregation effects on the two-photon absorption properties of para-nitroaniline polymers by hydrogen-bond interactions

The aggregation effects on the two-photon absorption properties of para-nitroaniline polymers by hydrogen-bond interactions

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