Theoretical study on the diradical characters and third-order nonlinear optical properties of cyclic thiazyl diradical compounds

Chemical Physics Letters

Volumn 585, Issue , 2013, Pages 112-116

  Matsui, Hiroshi ^a   Fukuda, Kotaro ^a   Hirosaki, Yuta ^a   Takamuku, Shota ^a   Champagne, Benoît ^b   Nakano, Masayoshi ^a  

^a OSAKA UNIVERSITY   (Japan)

^b UNIVERSITY OF NAMUR   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

NONLINEAR OPTICS; OPTICAL PROPERTIES;

DENSITY FUNCTIONAL THEORY METHODS; FIVE-MEMBERED RINGS; GAMMA VALUES; SECOND HYPERPOLARIZABILITIES; SPIN-UNRESTRICTED; SULFUR ATOMS; THEORETICAL STUDY; THIRD ORDER NONLINEAR OPTICAL PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 84885583791     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.08.087     Document Type: Article

References (47)

1. D. Day et al., Adv. Mater. 13 (2001) 1005.
2. S. Kawata et al., Chem. Rev. 100 (2000) 1777.
3. S. Tao et al., Adv. Mater. 19 (2007) 2707.
4. S. Kawata et al., Nature 412 (2001) 697.
5. C.W. Dirk et al., Int. J. Quant. Chem. 43 (1992) 27.
6. J.L. Brédas et al., Chem. Rev. 94 (1994) 243.
7. F. Terenziani et al., Adv. Mater. 20 (2008) 4641.
8. S. Mukhopadhyay et al., Chem. Sci. 3 (2012) 3103.
9. M. Nakano et al., J. Phys. Chem. A 109 (2005) 885.
10. M. Nakano et al., J. Chem. Phys. 125 (2006) 074113.
11. M. Nakano et al., Phys. Rev. Lett. 99 (2007) 033001.
12. M. Nakano, B. Champagne, J. Chem. Phys. 138 (2013) 244306.
13. M. Nakano et al., J. Phys. Chem. Lett. 2 (2011) 1094.
14. M. Nakano et al., Chem. Phys. Lett. 418 (2006) 142.
15. M. Nakano et al., Chem. Phys. Lett. 467 (2008) 120.
16. H. Nagai et al., Chem. Phys. Lett. 477 (2009) 355.
17. M. Shabbir et al., Chem. Eur. J. 19 (2013) 1677.
18. K. Yoneda et al., Chem. Phys. Lett. 480 (2009) 278.
19. K. Yoneda et al., J. Phys. Chem. C 116 (2012) 17787.
20. S. Motomura et al., Phys. Chem. Phys. Chem. 13 (2011) 20575.
21. H. Fukui et al., J. Phys. Chem. Lett. 2 (2011) 2063.
22. H. Fukui et al., J. Phys. Chem. A 116 (2012) 5501.
23. K. Kamada et al., Angew. Chem. Int. Ed. 46 (2007) 3544.
24. K. Kamada et al., J. Am. Chem. Soc. 135 (2013) 232.
25. H. Kishida et al., Thin Solid Films 519 (2010) 1028.
26. S. Cho et al., J. Am. Chem. Soc. 131 (2009) 6412.
27. G.S. He et al., J. Am. Chem. Soc. 133 (2011) 6675.
28. M. Ishida et al., J. Am. Chem. Soc. 133 (2011) 15533.
29. Y. Li et al., J. Am. Chem. Soc. 134 (2012) 14913.
30. Z. Zeng et al., J. Am. Chem. Soc. 134 (2012) 14513.
31. E. Dormann et al., J. Am. Chem. Soc. 109 (1987) 2594.
32. F. Breher, Coord. Chem. Rev. 251 (2007) 1007.
33. T.M. Barclay et al., J. Am. Chem. Soc. 119 (1997) 12136.
34. R.G. Hicks (Ed.), Stable Radicals, John Wiley & Sons, New York, 2010.
35. T.M. Barclay et al., J. Am. Chem. Soc. 119 (1997) 2633.
36. A.W. Cordes et al., Chem. Mater. 8 (1996) 2774.
37. J.M. Rawson et al., J. Matter. Chem. 16 (2006) 2560.
38. K. Takatsuka et al., Theor. Chim. Acta. 48 (1978) 175.
39. M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508.
40. M. Nakano et al., Theor. Chem. Acc. 130 (2011) 711.
41. R. Kishi et al., J. Chem. Phys. 132 (2010) 094107.
42. G. Maroulis, J. Chem. Phys. 108 (1998) 5432.
43. B. Champagne, E. Botek, M. Nakano, T. Nitta, K. Yamaguchi, J. Chem. Phys. 122 (2005) 114315.
44. A. Baranovska, A.J. Sadlej, J. Comput. Chem. 31 (2010) 552.
45. G.J.B. Hurst, M. Dupuis, E. Clementi, J. Chem. Phys. 89 (1988) 385.
46. M. de Wergifosse, F. Wautelet, B. Champagne, R. Kishi, K. Fukuda, H. Matsui, M. Nakano, J. Phys. Chem. A 117 (2013) 4709.
47. M.J. Frisch et al., Gaussian 09, Revision A.1, Gaussian, Inc., Wallingford, CT, 2009.