Length-dependent direction-tunable charge-transfer behavior of second-order optical nonlinearity in keggin-type organosilicone derivative [PW11O39(RSi)2O]3-: A TDDFT study

Journal of Cluster Science

Volumn 21, Issue 2, 2010, Pages 69-80

  Yao, Chan ^a   Yan, Li Kai ^a   Guan, Wei ^a   Liu, Chun Guang ^a   Song, Ping ^a   Su, Zhong Min ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

Charge transfer; Keggin; Nonlinear optical property; Organosilicone; Phosphotungstate

Indexed keywords

EID: 77953542883     PISSN: 10407278     EISSN: 15728862     Source Type: Journal    
DOI: 10.1007/s10876-010-0300-3     Document Type: Article

References (19)

1. H. Zeng, G. R. Newkome, and C. L. Hill (2000). Angew. Chem. Int. Ed. 112, 1841.
2. P. Judeinstein (1992). Chem. Mater. 4, 4.
3. C. R. Mayer, R. Thouvenot, and T. Lalot (2000). Chem. Mater. 12, 257.
4. R. C. Schroden, C. F. Blanford, B. J. Melde, B. J. S. Johnson, and A. Stein (2001). Chem. Mater. 13, 1074.
5. M. Lu, Y. Wei, B. Xu, C. Cheung, Z. Peng, and D. Powell (2002). Angew. Chem. Int. Ed. 41, 1566.
6. J. Hao, Y. Xia, L. Wang, L. Ruhlmann, Y. Zhu, Q. Li, P. Yin, Y. Wei, and H. Guo (2008). Angew. Chem. Int. Ed. 47, 2626.
7. W. H. Knoth (1979). J. Am. Chem. Soc. 101, 759.
8. P. Judeinstein, C. Deprun, and L. Nadjo (1991). J. Chem. Soc., Dalton Trans. 1991.
9. M. S. Weeks, C. L. Hill, and R. F. Schinazi (1992). J. Med. Chem. 35, 1216.
10. V. Duffort, R. Thouvenot, C. Afonso, G. Izzet, and A. Proust (2009). Chem. Commun. 6062.
11. G. S. Kim, K. S. Hagen, and C. L. Hill (1992). Inorg. Chem. 31, 5316.
12. L. K. Yan, G. C. Yang, W. Guan, Z. M. Su, and R. S. Wang (2005). J. Phys. Chem. B109, 22332.
13. G. C. Yang, W. Guan, L. K. Yan, and Z. M. Su (2006). J. Phys. Chem. B110, 23092.
14. Amsterdam Density Functional (ADF) Code 2008, Release (Vrije Universiteit, Amsterdam, The Netherlands 2008).
15. A. D. Becke (1998). Phys. Rev. A38, 3098.
16. J. P. Perdew (1986). Phys. Rev. B33, 8822.
17. E. van Lenthe, E. J. Baerends, and J. G. Snijders (1993). J. Chem. Phys. 99, 4597.
18. E. van Lenthe, A. E. Ehlers, and E. J. Baerends (1999). J. Chem. Phys. 110, 8943.
19. R. van Leeuwen and E. J. Baerends (1994). Phys. Rev. 49, 2421.