Citation: YU Hai-Ling, ZHANG Meng-Ying, HONG Bo, CHENG Zhi Qiang, WANG Jiao, TIAN Dong-Mei, QIU Yong-Qing. Nonlinear Optical Properties of Green Fluorescent Protein Chromophore Coupled Diradicals[J]. Acta Physico-Chimica Sinica, ;2013, 29(12): 2543-2550. doi: 10.3866/PKU.WHXB201310232 shu

Nonlinear Optical Properties of Green Fluorescent Protein Chromophore Coupled Diradicals

1.
1 College of Resources and Environmental Science, Jinlin Agricultural University, Changchun 130118, P. R. China;
2 Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, P. R. China

Received Date: 29 July 2013
Available Online: 23 October 2013
Fund Project: 国家自然科学基金(21173035)资助项目 (21173035)

The geometries, polarizabilities (α_s), and first hyperpolarizabilities (β_tot) of a series of green fluorescent protein chromophore coupled diradicals and their corresponding optical isomers were investigated using density functional theory (DFT). The results show that the introductions of the electron donor/acceptor significantly enhance the polarizabilities and have a different influence on the first hyperpolarizabilities. For trans isomers, the β_tot values of the studied compounds increase with increasing strength of the electron-withdrawing ability of the substituent, whereas the β_tot values decrease significantly with increasing strength of the electron-donating ability of the substituent. For cis isomers, the trends in the changes in the β_tot values are the opposite of those for trans isomers on introduction of a donor/acceptor. Significantly, photoisomerization can lead to the different β_tot values. The β_tot values of cis isomers are smaller than those of trans isomers when electron acceptors are introduced. For example, the β_tot value of the cis isomer with the strongest electron acceptor, i.e., ―NO₂, is about 1/6 that of the corresponding trans isomer. However, the β_tot values of trans isomers are smaller than those of cis isomers when electron donors are introduced. For example, the β_tot value of the trans isomer with the strongest electron donor, i.e., ―NH₂, is about six times smaller than that of the corresponding cis isomer. As a result, photoisomerization can modulate the molecular nonlinear optical (NLO) responses effectively.
- Diradical,
- Non linear optical property,
- Photoisomerization,
- Switch,
- Density functional theory
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