Influence of rotational isomerism on two-photon absorption properties of FTC chromophores

doi:10.1088/1674-1056/21/11/118201

中国物理B ›› 2012, Vol. 21 ›› Issue (11): 118201-118201.doi: 10.1088/1674-1056/21/11/118201

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇下一篇

Influence of rotational isomerism on two-photon absorption properties of FTC chromophores

韩广超, 赵珂, 刘朋伟, 张立立

College of Physics and Electronics, Shandong Normal University, Jinan 250014, China

收稿日期:2012-03-18 修回日期:2012-05-27 出版日期:2012-10-01 发布日期:2012-10-01
基金资助:
Project supported by the Young Scientists Fund of the National Natural Science Foundation of China (Grant No. 10904085).

Influence of rotational isomerism on two-photon absorption properties of FTC chromophores

Han Guang-Chao (韩广超), Zhao Ke (赵珂), Liu Peng-Wei (刘朋伟), Zhang Li-Li (张立立 )

College of Physics and Electronics, Shandong Normal University, Jinan 250014, China

Received:2012-03-18 Revised:2012-05-27 Online:2012-10-01 Published:2012-10-01
Contact: Zhao Ke E-mail:zhaoke@sdnu.edu.cn
Supported by:
Project supported by the Young Scientists Fund of the National Natural Science Foundation of China (Grant No. 10904085).

摘要/Abstract

摘要： The influence of rotational isomerism on the two-photon absorption (TPA) of FTC chromophores has been investigated by using the quadratic response theory with the B3LYP functional. Eight rotamers induced by three rotatable single bonds in the molecule are fully optimized, and it is found that their conformational energies are nearly degenerate. Our calculations demonstrate that the rotational isomerism has important effects on the TPA cross sections. For a certain rotamer, the maximum TPA cross section is enhanced significantly. Also, in the longer wavelength region, the rotational isomerism could lead to a large shift of the TPA position.

关键词: rotational isomerism, two-photon absorption, organic molecule

Abstract: The influence of rotational isomerism on the two-photon absorption (TPA) of FTC chromophores has been investigated by using the quadratic response theory with the B3LYP functional. Eight rotamers induced by three rotatable single bonds in the molecule are fully optimized, and it is found that their conformational energies are nearly degenerate. Our calculations demonstrate that the rotational isomerism has important effects on the TPA cross sections. For a certain rotamer, the maximum TPA cross section is enhanced significantly. Also, in the longer wavelength region, the rotational isomerism could lead to a large shift of the TPA position.

Key words: rotational isomerism, two-photon absorption, organic molecule

中图分类号: (Isomerization and rearrangement)

82.30.Qt

33.80.Wz (Other multiphoton processes) 42.65.-k (Nonlinear optics)

韩广超, 赵珂, 刘朋伟, 张立立 . Influence of rotational isomerism on two-photon absorption properties of FTC chromophores[J]. 中国物理B, 2012, 21(11): 118201-118201.

Han Guang-Chao (韩广超), Zhao Ke (赵珂), Liu Peng-Wei (刘朋伟), Zhang Li-Li (张立立 ). Influence of rotational isomerism on two-photon absorption properties of FTC chromophores[J]. Chin. Phys. B, 2012, 21(11): 118201-118201.

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Influence of rotational isomerism on two-photon absorption properties of FTC chromophores

Influence of rotational isomerism on two-photon absorption properties of FTC chromophores

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