含绿色荧光蛋白发色团双自由基分子的非线性光学性质

引用本文: 于海玲, 张梦颖, 洪波, 程志强, 王娇, 田冬梅, 仇永清. 含绿色荧光蛋白发色团双自由基分子的非线性光学性质[J]. 物理化学学报, 2013, 29(12): 2543-2550. doi: 10.3866/PKU.WHXB201310232 shu

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

含绿色荧光蛋白发色团双自由基分子的非线性光学性质

于海玲 ^1, ,
张梦颖 ^2, ,
洪波 ^1, ,
程志强 ^1, ,
王娇 ^2, ,
田冬梅 ^2, ,
仇永清 ^2,

基金项目:
国家自然科学基金(21173035)资助项目 (21173035)

摘要:

采用密度泛函理论(DFT)方法研究了系列含绿色荧光蛋白发色团双自由基分子光学异构体的几何结构、极化率(α_s)和第一超极化率(β_tot). 结果表明, 引入电子给受体取代基使分子的极化率增大, 而对第一超极化率有不同影响. 对于光照前的反式结构, 引入电子受体β_tot值增加, 且β_tot值随取代基吸电子能力的增强而增大;引入电子给体β_tot值降低, 且β_tot值随取代基给电子能力的增强而减小. 当分子变成相应的顺式结构时, 其β_tot值变化趋势与反式结构的结果正好相反. 光异构化前后分子的β_tot值变化不同, 引入电子受体使顺式结构的β_tot值比反式结构的小, 其中―NO₂使顺式结构的β_tot值减小为反式结构的1/6; 引入电子给体使反式结构的β_tot值比顺式结构的小, 其中―NH₂使反式结构的β_tot值减小为顺式结构的1/6. 从而, 光异构化起到调节非线性光学(NLO)响应的作用.

关键词:

English

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: 28 November 2013
Fund Project:
国家自然科学基金(21173035)资助项目

Abstract:

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.

Key words:

1. [1]
  
  (1) Nakano, M.; Yamaguchi, K. J. Chem. Phys. Lett. 1993, 206,285. doi: 10.1016/0009-2614(93)85553-Z
  (1) Nakano, M.; Yamaguchi, K. J. Chem. Phys. Lett. 1993, 206,285. doi: 10.1016/0009-2614(93)85553-Z
2. [2]
  (2) Ma, N. N.; Sun, S. L.; Liu, C. G.; Sun, X. X.; Qiu, Y. Q. J. Phys. Chem. A 2011, 115, 13564. doi: 10.1021/jp206003n(2) Ma, N. N.; Sun, S. L.; Liu, C. G.; Sun, X. X.; Qiu, Y. Q. J. Phys. Chem. A 2011, 115, 13564. doi: 10.1021/jp206003n
3. [3]
  (3) Sun, X. X.; Liu, Y.; Zhao, H. B.; Sun, S. L.; Liu, C. G.; Qiu, Y.Q. Acta Phys. -Chim. Sin. 2011, 27, 315. [孙秀欣, 刘艳, 赵海波, 孙世玲, 刘春光, 仇永清. 物理化学学报, 2011, 27, 315.]doi: 10.3866/PKU.WHXB20110236(3) Sun, X. X.; Liu, Y.; Zhao, H. B.; Sun, S. L.; Liu, C. G.; Qiu, Y.Q. Acta Phys. -Chim. Sin. 2011, 27, 315. [孙秀欣, 刘艳, 赵海波, 孙世玲, 刘春光, 仇永清. 物理化学学报, 2011, 27, 315.]doi: 10.3866/PKU.WHXB20110236
4. [4]
  (4) Liu, C. G.; Guan, X. H.; Su, Z. M. J. Phys. Chem. C 2011, 115,6024. doi: 10.1021/jp111797n(4) Liu, C. G.; Guan, X. H.; Su, Z. M. J. Phys. Chem. C 2011, 115,6024. doi: 10.1021/jp111797n
5. [5]
  (5) Nakano, M.; Nagao, H.; Yamaguchi, K. Chem. Phys. Lett. 1999,311, 221. doi: 10.1016/S0009-2614(99)00852-0(5) Nakano, M.; Nagao, H.; Yamaguchi, K. Chem. Phys. Lett. 1999,311, 221. doi: 10.1016/S0009-2614(99)00852-0
6. [6]
  (6) Zhong, R. L.; Xu, H. L.; Su, Z. M.; Li, Z. R.; Sun, S. L.; Qiu, Y.Q. ChemPhysChem 2012, 13, 2349. doi: 10.1002/cphc.v13.9(6) Zhong, R. L.; Xu, H. L.; Su, Z. M.; Li, Z. R.; Sun, S. L.; Qiu, Y.Q. ChemPhysChem 2012, 13, 2349. doi: 10.1002/cphc.v13.9
7. [7]
  (7) Ohta, S.; Nakano, M.; Kubo, T. J. Phys. Chem. A 2007, 111,3633. doi: 10.1021/jp0713662(7) Ohta, S.; Nakano, M.; Kubo, T. J. Phys. Chem. A 2007, 111,3633. doi: 10.1021/jp0713662
8. [8]
  (8) Ratera, I.; Veciana, J. Chem. Soc. Rev. 2012, 41, 303. doi: 10.1039/c1cs15165g(8) Ratera, I.; Veciana, J. Chem. Soc. Rev. 2012, 41, 303. doi: 10.1039/c1cs15165g
9. [9]
  (9) Coe, B. J.; Fielden, J.; Foxon, S. P.; Harris, J. A.; Helliwell, M.;Brunschwig, B. S.; Asselberghs, I.; Clays, K.; Garin, J.; Orduna,J. J. Am. Chem. Soc. 2010, 132, 10498. doi: 10.1021/ja103289a(9) Coe, B. J.; Fielden, J.; Foxon, S. P.; Harris, J. A.; Helliwell, M.;Brunschwig, B. S.; Asselberghs, I.; Clays, K.; Garin, J.; Orduna,J. J. Am. Chem. Soc. 2010, 132, 10498. doi: 10.1021/ja103289a
10. [10]
  (10) Leïla, B. L.; Coe, B. J.; Clays, K.; Foerier, S.; Verbiest, T.;Asselberghs, I. J. Am. Chem. Soc. 2008, 130, 3286. doi: 10.1021/ja711170q(10) Leïla, B. L.; Coe, B. J.; Clays, K.; Foerier, S.; Verbiest, T.;Asselberghs, I. J. Am. Chem. Soc. 2008, 130, 3286. doi: 10.1021/ja711170q
11. [11]
  (11) Nakazaki, J.; Chung, I.; Matsushita, M. M.; Sugawara, T.;Watanabe, R.; Izuoka, A.; Kawada, Y. J. Mater. Chem. 2003, 13,1011. doi: 10.1039/b211986b(11) Nakazaki, J.; Chung, I.; Matsushita, M. M.; Sugawara, T.;Watanabe, R.; Izuoka, A.; Kawada, Y. J. Mater. Chem. 2003, 13,1011. doi: 10.1039/b211986b
12. [12]
  (12) Caneschi, A.; Gatteschi, D.; Rey, P.; Sessoli, R. Inorg. Chem.1991, 30, 3936. doi: 10.1021/ic00020a029(12) Caneschi, A.; Gatteschi, D.; Rey, P.; Sessoli, R. Inorg. Chem.1991, 30, 3936. doi: 10.1021/ic00020a029
13. [13]
  (13) Angeloni, L.; Caneschi, A.; David, L.; Fabretti, A.; Ferraro, F.;Gatteschi, D.; Lirzin, A. L.; Sessoli, R. J. Mater. Chem. 1994, 4,1047. doi: 10.1039/jm9940401047(13) Angeloni, L.; Caneschi, A.; David, L.; Fabretti, A.; Ferraro, F.;Gatteschi, D.; Lirzin, A. L.; Sessoli, R. J. Mater. Chem. 1994, 4,1047. doi: 10.1039/jm9940401047
14. [14]
  (14) Coe, B. J.; Harris, J. A.; Jones, L. A. J. Am. Chem. Soc. 2005,127, 4845. doi: 10.1021/ja0424124(14) Coe, B. J.; Harris, J. A.; Jones, L. A. J. Am. Chem. Soc. 2005,127, 4845. doi: 10.1021/ja0424124
15. [15]
  (15) Muhammad, S.; Xu, H. L.; Liao, Y.; Kan, Y. H.; Su, Z. M.J. Am. Chem. Soc. 2009, 131, 11833. doi: 10.1021/ja9032023(15) Muhammad, S.; Xu, H. L.; Liao, Y.; Kan, Y. H.; Su, Z. M.J. Am. Chem. Soc. 2009, 131, 11833. doi: 10.1021/ja9032023
16. [16]
  (16) Nakatani, K.; Delaire, J. A. Chem. Mater. 1997, 9, 2682. doi: 10.1021/cm970369w(16) Nakatani, K.; Delaire, J. A. Chem. Mater. 1997, 9, 2682. doi: 10.1021/cm970369w
17. [17]
  (17) Ma, N. N.; Yan, L. K.; Guan,W.; Qiu, Y. Q.; Su, Z. M. Phys. Chem. Chem. Phys. 2012, 14, 5605. doi: 10.1039/c2cp00054g(17) Ma, N. N.; Yan, L. K.; Guan,W.; Qiu, Y. Q.; Su, Z. M. Phys. Chem. Chem. Phys. 2012, 14, 5605. doi: 10.1039/c2cp00054g
18. [18]
  (18) Liu, C. G.; Su, Z. M.; Guan, X. H.; Muhammad, S. J. Phys. Chem. C 2011, 115, 23946. doi: 10.1021/jp2049958(18) Liu, C. G.; Su, Z. M.; Guan, X. H.; Muhammad, S. J. Phys. Chem. C 2011, 115, 23946. doi: 10.1021/jp2049958
19. [19]
  (19) Brook, D. J. R.; Yee, G. T. J. Org. Chem. 2006, 71, 4889. doi: 10.1021/jo060165b(19) Brook, D. J. R.; Yee, G. T. J. Org. Chem. 2006, 71, 4889. doi: 10.1021/jo060165b
20. [20]
  (20) Herebian, D.;Wieghardt, K. E.; Neese, F. J. Am. Chem. Soc.2003, 125, 10997. doi: 10.1021/ja030124m(20) Herebian, D.;Wieghardt, K. E.; Neese, F. J. Am. Chem. Soc.2003, 125, 10997. doi: 10.1021/ja030124m
21. [21]
  (21) Muhammad, S.; Xu, H. L.; Janjua, M. R. S. A.; Su, Z. M.;Nadeem, M. Phys. Chem. Chem. Phys. 2010, 12, 4791. doi: 10.1039/b924241d(21) Muhammad, S.; Xu, H. L.; Janjua, M. R. S. A.; Su, Z. M.;Nadeem, M. Phys. Chem. Chem. Phys. 2010, 12, 4791. doi: 10.1039/b924241d
22. [22]
  (22) Wang, C. H.; Ma, N. N.; Sun, X. X.; Sun, S. L.; Qiu, Y. Q.; Liu,P. J. J. Phys. Chem. A 2012, 116, 10496. doi: 10.1021/jp3062288(22) Wang, C. H.; Ma, N. N.; Sun, X. X.; Sun, S. L.; Qiu, Y. Q.; Liu,P. J. J. Phys. Chem. A 2012, 116, 10496. doi: 10.1021/jp3062288
23. [23]
  (23) Lamère, J. F.; Sasaki, I.; Lacroix, P. G. New J. Chem. 2006, 30,921. doi: 10.1039/b601315e(23) Lamère, J. F.; Sasaki, I.; Lacroix, P. G. New J. Chem. 2006, 30,921. doi: 10.1039/b601315e
24. [24]
  (24) Sun, X. X.; Ma, N. N.; Li, X. J.; Sun, S. L.; Xie, H. M.; Qiu, Y.Q. J. Organomet. Chem. 2012, 38, 3384.(24) Sun, X. X.; Ma, N. N.; Li, X. J.; Sun, S. L.; Xie, H. M.; Qiu, Y.Q. J. Organomet. Chem. 2012, 38, 3384.
25. [25]
  (25) Tsien, R. Y. Annu. Rev. Biochem. 1998, 67, 509. doi: 10.1146/annurev.biochem.67.1.509(25) Tsien, R. Y. Annu. Rev. Biochem. 1998, 67, 509. doi: 10.1146/annurev.biochem.67.1.509
26. [26]
  (26) Voliani, V.; Bizzarri, R.; Nifosì, R.; Abbruzzetti, S.; Grandi, E.;Viappiani, C.; Beltram, F. J. Phys. Chem. B 2008, 112,10714. doi: 10.1021/jp802419h(26) Voliani, V.; Bizzarri, R.; Nifosì, R.; Abbruzzetti, S.; Grandi, E.;Viappiani, C.; Beltram, F. J. Phys. Chem. B 2008, 112,10714. doi: 10.1021/jp802419h
27. [27]
  (27) Meulenaere, E. D.; Bich, N. N.;Wergifosse, M. D.; Hecke, K.V.; Meervelt, L. V.; Vanderleyden, J.; Champagne, B.; Clays, K.J. Am. Chem. Soc. 2013, 135, 4061. doi: 10.1021/ja400098b(27) Meulenaere, E. D.; Bich, N. N.;Wergifosse, M. D.; Hecke, K.V.; Meervelt, L. V.; Vanderleyden, J.; Champagne, B.; Clays, K.J. Am. Chem. Soc. 2013, 135, 4061. doi: 10.1021/ja400098b
28. [28]
  (28) Bhattacharya, D.; Panda, A.; Shil, S.; swamia, T.; Misra, A.Phys. Chem. Chem. Phys. 2012, 14, 6905. doi: 10.1039/c2cp00053a(28) Bhattacharya, D.; Panda, A.; Shil, S.; swamia, T.; Misra, A.Phys. Chem. Chem. Phys. 2012, 14, 6905. doi: 10.1039/c2cp00053a
29. [29]
  (29) Shil, S.; Misra, A. J. Phys. Chem. A 2010, 114, 2022. doi: 10.1021/jp910661g(29) Shil, S.; Misra, A. J. Phys. Chem. A 2010, 114, 2022. doi: 10.1021/jp910661g
30. [30]
  (30) Limacher, P. A.; Mikkelsen, K. V.; Luthi, H. P. J. Chem. Phys.2009, 130, 1941141.(30) Limacher, P. A.; Mikkelsen, K. V.; Luthi, H. P. J. Chem. Phys.2009, 130, 1941141.
31. [31]
  (31) Wang, F. F.; Li, Z. R.;Wu, D.;Wang, B. Q.; Li, Y.; Li, Z. J.;Chen,W.; Yu, G. T.; Gu, F. L.; Aoki, Y. J. Phys. Chem. B 2008,112, 1090.(31) Wang, F. F.; Li, Z. R.;Wu, D.;Wang, B. Q.; Li, Y.; Li, Z. J.;Chen,W.; Yu, G. T.; Gu, F. L.; Aoki, Y. J. Phys. Chem. B 2008,112, 1090.
32. [32]
  (32) Sim, F.; Chin, S.; Dupuis, M.; Rice, J. E. J. Phys. Chem. 1993,97, 1158. doi: 10.1021/j100108a010(32) Sim, F.; Chin, S.; Dupuis, M.; Rice, J. E. J. Phys. Chem. 1993,97, 1158. doi: 10.1021/j100108a010
33. [33]
  (33) Chopra, P.; Carlacci, L.; King, H. F.; Prasad, P. N. J. Phys. Chem. 1989, 93, 3304. doi: 10.1021/j100345a082(33) Chopra, P.; Carlacci, L.; King, H. F.; Prasad, P. N. J. Phys. Chem. 1989, 93, 3304. doi: 10.1021/j100345a082
34. [34]
  (34) Frisch, M. J.; Trucks, G.W.; Schlegel, H. B.; et al. Gaussian 09 W, Revision A.02; Gaussian Inc.:Wallingford, CT, 2009.
  (34) Frisch, M. J.; Trucks, G.W.; Schlegel, H. B.; et al. Gaussian 09 W, Revision A.02; Gaussian Inc.:Wallingford, CT, 2009.

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1.
沈阳化工大学材料科学与工程学院沈阳 110142

含绿色荧光蛋白发色团双自由基分子的非线性光学性质

English

Nonlinear Optical Properties of Green Fluorescent Protein Chromophore Coupled Diradicals

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

含绿色荧光蛋白发色团双自由基分子的非线性光学性质

English

Nonlinear Optical Properties of Green Fluorescent Protein Chromophore Coupled Diradicals

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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