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

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

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.

Keywords: rotational isomerism two-photon absorption organic molecule

Received: 18 March 2012
Revised: 27 May 2012
Accepted manuscript online:

PACS:	82.30.Qt	(Isomerization and rearrangement)
	33.80.Wz	(Other multiphoton processes)
	42.65.-k	(Nonlinear optics)

Fund: Project supported by the Young Scientists Fund of the National Natural Science Foundation of China (Grant No. 10904085).

Corresponding Authors: Zhao Ke
E-mail: zhaoke@sdnu.edu.cn

Cite this article:

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 2012 Chin. Phys. B 21 118201

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

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