Citation: WEI Hang, ZHANG Rong-Hong, YUAN Bo, YANG Fan, LI Quan, ZHAO Ke-Qing. Electronic Spectra and Nonlinear Optical Properties of 8-Hydroxyquinolinolate-Ag (Pt) Metal Complexes[J]. Acta Physico-Chimica Sinica, ;2011, 27(02): 302-308. doi: 10.3866/PKU.WHXB20110223 shu

Electronic Spectra and Nonlinear Optical Properties of 8-Hydroxyquinolinolate-Ag (Pt) Metal Complexes

1.
Key Laboratory of Advanced Functional Materials, Sichuan Province Higher Education System, College of Chemistry and Material Science, Sichuan Normal University, Chengdu 610066, P. R. China

Received Date: 23 July 2010
Available Online: 5 January 2011
Fund Project: 国家自然科学基金(50973076) (50973076) 四川省科技计划项目(2010JY0041) (2010JY0041)四川师范大学科研经费(09ZDL03)资助 (09ZDL03)

Density functional theory with the B3LYP level was used to investigate the nonlinear optical properties of 8-hydroxyquinolinolate (Ag, Pt)(AgQ, PtQ₂) metal complexes and their derivatives. The introduction of substituents resulted in considerable red shifts for the highest absorption wavelength of the Pt complexes. The lowest energy excitation absorption mainly consisted of d→π^* and π→π^* excitations from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO). Metal to ligand charge-transfer (MLCT) and ligand to ligand charge-transfer (LLCT) were mainly involved. Adulteration with the transition metals Pt and Ag resulted in a significant increase in the third-order nonlinear optical coefficient γ of 8-hydroxyquinolinolate. The introduction of ―Ph, ―PhOCH₃, ―PhF₂, and ―PhF₅ further improved the γ value of the 8-hydroxyquinolinolate metal complexes. The gradient of the γ value increased with an increase in the electron-donating ability of the introduced substituent. This gradient was lower for substituent with a higher electron-accepting ability.
- Density functional theory,
- 8-Hydroxyquinolinolate,
- Metal complexes,
- Nonlinear optical property,
- Electronic spectrum
1. [1]
  
  (1) Guthmuller, J.; Simon, D. J. Phys. Chem. A 2006, 110, 9967.
2. [2]
  (2) Karton, A.; Iron, M. A.; Boom, M. E.; Martin, J. M. L. J. Phys. Chem. A 2005, 109, 5454.
3. [3]
  (3) Feng, J. K. Acta Chim. Sin., 2005, 63, 1245.
4. [4]
  [封继康. 化学学报, 2005, 63, 1245.]
5. [5]
  (4) Silva, I. C.; Silva, R. M.; Silva, K. M. N. J. Mol. Struct. 2005, 728, 141.
6. [6]
  (5) Liyanage, P. S.; Silva, R. M.; Silva, K. M. N. J. Mol. Struct. 2003, 639, 195.
7. [7]
  (6) Li, G. X.; Peng, X. H.;), Lü, C. X. Chin. J. Org. Chem. 2006, 26, 839.
8. [8]
  [李广学, 彭新华, 吕春绪. 有机化学, 2006, 26, 839.]
9. [9]
  (7) Zhou, Y. D.; Zeng, H. P.; Jing, H. L.; Yuan, G. Z.; Ouyang,. X. H. Chin. J. Org. Chem. 2006, 26, 783.
10. [10]
  [周亚东, 曾和平, 靖慧莲, 袁国赞, 欧阳新华. 有机化学, 2006, 26, 783.]
11. [11]
  (8) Zhao, S. K.; Sun, X. Y.; Fang, L.; Zhu, Y. L. Chem. J. Chin. Univ. 2004, 23, 788.
12. [12]
  [赵树魁, 孙秀云, 方亮, 朱玉兰. 高等学校化学学报, 2007, 28, 1731.]
13. [13]
  (9) Adriana, V.; Elena, C.; Stefania, R.; Dominique, R.; Francesca, T.; Renato, U.; Ignazio, L. F.; Maria, E. F.; Graziella, M.; Filippo, D. A.; Leonardo, B.; Isabelle, L. R.; Khuyen, H. T.; Joseph, Z. J. Am. Chem. Soc. 2010, 132, 4966.
14. [14]
  (10) Cai, J.; Zeng, W.; Li, Q.; Luo, K. J.; Zhao, K. Q. Acta Chim. Sin. 2009, 67, 2301.
15. [15]
  [蔡静, 曾薇, 李权, 骆开均, 赵可清. 化学学报, 2009, 67, 2301.]
16. [16]
  (11) Cai, J.; Zeng, W.; Li, Q.; Luo, K. J.; Zhao, K. Q. Acta. Phys. Sin. 2009, 58, 5259
17. [17]
  [蔡静, 曾薇, 李权, 骆开均, 赵可清. 物理学报, 2009, 58, 5259].
18. [18]
  (12) Benjamin, J.; C.; Simon, P. F.; Elizabeth, C. H.; Madeleine, H.; James, R.; Catherine, A. S.; Bruce, S. B.; Koen, C.; Edith, F.; Javier, G.; Jess, O.; Peter, N. H.; Michael, B. H. J. Am. Chem. Soc. 2008, 130, 6930.
19. [19]
  (13) Gao, F. X.; Yang, J. L. Acta Phys. -Chim. Sin. 2009, 25, 806.
20. [20]
  [高飞雪, 杨俊林. 物理化学学报, 2009, 25, 806].
21. [21]
  (14) Jiang, W. S.; Zhu, J. P. J. Sichuan Normal Univ. (Nat. Sci. Ed.) 2010, 33, 519.
22. [22]
  [江文世, 朱静平. 四川师范大学学报(自然科学版), 2010, 33, 519.]
23. [23]
  (15) Ren, X. F.; Ren, A. M.; Wang, Q.; Feng, J. K. Acta Phys. -Chim. Sin. 2010, 26, 110.
24. [24]
  [任雪峰, 任爱民, 王钦, 封继康. 物理化学学报, 2010, 26, 110.]
25. [25]
  (16) Qiu, Y. Q.; Liu, C. G.; Chen, H.; Su, Z. M.; Yang, G. C.; Wang, R. S. Acta Phys. -Chim. Sin. 2006, 27, 836.
26. [26]
  [仇永清, 刘春光, 陈微, 苏忠民, 杨国春, 王荣顺. 化学学报, 2006, 27, 836.]
27. [27]
  (17) David, J.; Henry, A. V.; Irene, Y. J. Phys. Chem. A 2008, 112, 9835.
28. [28]
  (18) Liu, C. P.; Liu, P.; Wu, K. C. Acta Chim. Sin. 2008, 66, 729.
29. [29]
  [刘彩萍, 刘萍, 吴克琛. 化学学报, 2008, 66, 729.]
30. [30]
  (19) Kurtz, H. A.; Stewart, J. J. P.; Dieter, K. M. J. Comput. Chem. 1990, 11, 82.
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