Theoretical investigation on the triplet excited state properties of the porphyrin-related photosensitizers and the implications in illustrating their photosensitization mechanisms

Journal of Molecular Structure: THEOCHEM

Volumn 862, Issue 1-3, 2008, Pages 130-132

  Shen, Liang ^a  

^a SHANDONG UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Density functional theory; Photosensitization mechanisms; Porphyrin related photosensitizers; Triplet state

Indexed keywords

EID: 84962422557     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.05.002     Document Type: Article

References (25)

1. Grossweiner L.I., Blum A., and Goyal G.C. Adv. Exp. Med. Biol. 193 (1985) 181
2. Malik Z., and Lugachi H. Br. J. Cancer 56 (1987) 589
3. Ghiggino K.P., Bennet L.E., and Henderson R.W. Photochem. Photobiol. 47 (1988) 65
4. Kreitner M., Ebermann R., and Alth G. J. Photochem. Photobiol. B Biol. 36 (1996) 109
5. Shen L., Ji H.F., and Zhang H.Y. Photochem. Photobiol. 82 (2006) 798
6. Llano J., Raber J., and Eriksson L.A. J. Photochem. Photobiol. A Chem. 154 (2003) 235
7. Shen L., Ji H.F., and Zhang H.Y. Bioorg. Med. Chem. Lett. 16 (2006) 1414
8. Shen L., Ji H.F., and Zhang H.Y. Chem. Phys. Lett. 409 (2005) 300
9. Shen L., Ji H.F., and Zhang H.Y. J. Photochem. Photobiol. A Chem. 180 (2006) 65
10. Hohenberg P., and Kohn W. Phys. Rev. 136 (1964) B864
11. Kohn W., and Sham L. J. Phys. Rev. 140 (1965) A1133
12. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
13. Becke A.D. J. Chem. Phys. 98 (1993) 1372
14. Stephens P.J., Devlin F.J., Chabalowski C.F., and Frisch M.J. J. Phys. Chem. 98 (1994) 11623
15. Stratmann R.E., Scuseria G.E., and Frisch M.J. J. Chem. Phys. 109 (1998) 8218
16. Bauernschmitt R., and Ahlrichs R. Chem. Phys. Lett. 256 (1996) 454
17. Casida M.E., Jamorski C., Casida K.C., and Salahub D.R. J. Chem. Phys. 108 (1998) 4439
18. Miertus S., Scrocco E., and Tomasi J. Chem. Phys. 55 (1981) 117
19. Miertus S., and Tomasi J. Chem. Phys. 65 (1982) 239
20. Cossi M., Barone V., and Cammi J. Chem. Phys. Lett. 255 (1996) 327
21. 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, 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 A.1, Gaussian, Inc., Pittsburgh, PA, 2003.
22. Murov S.L., and Carmichael I. Handbook of Photochemistry. second ed. (1993), Marcel Dekker, New York
23. Merchán M., Orti{dotless}́ E., and Roos B.O. Chem. Phys. Lett. 226 (1994) 27
24. Loboda O., Tunell I., Minaev B., and Ågren H. Chem. Phys. 312 (2005) 299
25. Perun S., Tatchen J., and Marian C.M. Chem. Phys. Chem. 9 (2008) 282