Theoretical studies of 1:1 charge-transfer complexes between nitrogen-containing heterocycles and I2 molecules, and implications on the performance of dye-sensitized solar cell

Journal of Photochemistry and Photobiology A: Chemistry

Volumn 181, Issue 2-3, 2006, Pages 268-273

  Kusama, Hitoshi ^a   Sugihara, Hideki ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Charge transfer complex; Dye sensitized solar cell; Iodine; Nitrogen containing heterocycles

Indexed keywords

EID: 33745285760     PISSN: 10106030     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jphotochem.2005.12.008     Document Type: Article

References (34)

1. O'Reganoulos B., and Grätzel M. Nature 353 (1991) 737-740
2. Huang S.Y., Schlichthörl G., Nozik A.J., Grätzel M., and Frank A.J. J. Phys. Chem. B 101 (1997) 2576-2582
3. Schlichthörl G., Huang S.Y., Sprague J., and Frank A.J. J. Phys. Chem. B 101 (1997) 8141-8155
4. Kusama H., Kurashige M., and Arakawa H. J. Photochem. Photobiol. A: Chem. 169 (2005) 169-176
5. Grätzel M. Nature 414 (2001) 338-344
6. He J., Benkö G., Korodi F., Polívka T., Lomoth R., Åkermark B., Sun L., Hagfeldt A., and Sundström V. J. Am. Chem. Soc. 124 (2002) 4922-4932
7. Greijer H., Lindgren J., and Hagfeldt A. J. Phys. Chem. B 105 (2001) 6314-6320
8. Ohno K. Ryoshi Butsuri Kagaku (1989), University of Tokyo Press, Tokyo pp. 311-312
9. El-Haty M.T. Spectrochim. Acta 47A (1991) 1017-1021
10. Boraei A.A.A.A., and El-Roudi O.M. Can. J. Appl. Spectrosc. 41 (1996) 37-41
11. Boraei A.A.A.A. Can. J. Appl. Sci. Spectrosc. 46 (2001) 95-100
12. Bowmaker G.A., and Boyd P.D.W. J. Chem. Soc. Faraday Trans. 2 83 (1987) 2211-2223
13. Danten Y., Guillot B., and Guissani Y. J. Chem. Phys. 96 (1992) 3795-3810
14. Reilling S., Besnard M., and Bopp P.A. J. Phys. Chem. A 101 (1997) 4409-4415
15. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford CT, 2004.
16. Dunning Jr. T.H., and Hay P.J. In: Schaefer III H.F. (Ed). Modern Theoretical Chemistry vol. 3 (1976), Plenum, New York 1-28
17. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 270-283
18. Wadt W.R., and Hay P.J. J. Chem. Phys. 82 (1985) 284-298
19. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299-310
20. Wong M.W., Gill P.M.W., Nobes R.H., and Radom L. J. Phys. Chem. 92 (1988) 4875-4880
21. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899-926
22. Schneider W., and Thiel W. J. Chem. Phys. 86 (1987) 923-936
23. Cancès E., Mennucci B., and Tomasi J. J. Chem. Phys. 107 (1997) 3032-3041
24. Esseffar M., Bouab W., Lamsabhi A., Abboud J.L.M., Notario R., and Yáñez M. J. Am. Chem. Soc. 122 (2000) 2300-2308
25. El Firdoussi A., Esseffar M., Bouab W., Abboud J.-L.M., and Yáñez O.Mo.M. J. Phys. Chem. A 108 (2004) 10568-10577
26. Ananthavel S.P., and Manoharan M. Chem. Phys. 269 (2001) 49-57
27. Mennucci B., Cammi R., and Tomasi J. J. Chem. Phys. 109 (1998) 2798-2807
28. Tomasi J., Mennucci B., and Cancès E. J. Mol. Struct. (Theochem.) 464 (1999) 211-226
29. Foster J.P., and Weinhold F. J. Am. Chem. Soc. 102 (1980) 7211-7218
30. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO Version 3.1.
31. Bondi A. J. Phys. Chem. B 68 (1964) 441-451
32. Karpfen A. J. Phys. Chem. A 105 (2001) 2064-2072
33. Zhang Y., and You X.-Z. J. Comput. Chem. 22 (2001) 327-338
34. Ebrahimi A., Deyhimi F., and Roohi H. J. Mol. Struct. (Theochem.) 626 (2003) 223-229