A theoretical study on physicochemical properties of elsinochrome A in ground state

Journal of Molecular Structure: THEOCHEM

Volumn 726, Issue 1-3, 2005, Pages 135-140

  Wang, Lan Fen ^a   Zhang, Hong Yu ^a  

^a SHANDONG UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Ab initio; AM1 method; Elsinochrome A; Intramolecular H atom transfer; Isomerization; Perylenequinonoid derivatives

Indexed keywords

EID: 22744442445     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.04.002     Document Type: Article

References (25)

1. U. Weiss, L. Merlini, and G. Nasini Prog. Chem. Org. Nat. Prod. 52 1987 1
2. N. Duran, and P.S. Song Photochem. Photobiol. 43 1986 677
3. L.J. Jiang Chin. Sci. Bull. 35 1990 1608
4. L.J. Jiang Chin. Sci. Bull. 35 1990 1681
5. Z. Diwu, and J.W. Lown Photochem. Photobiol. 52 1990 609
6. Z. Diwu Photochem. Photobiol. 61 1995 529
7. H.Y. Zhang, and Z.Y. Zhang Adv. Free Radic. Life Sci. 7 1999 41
8. H. Falk Angew. Chem. Int. Ed. 38 1999 3116
9. L.J. Jiang, and Y.Y. He Chin. Sci. Bull. 45 2000 2019
10. J.W. Petrich, M.S. Gordon, and M. Cagle J. Phys. Chem. A 102 1998 1647
11. M.Z. Xing, X.Z. Zhang, Z.L. Sun, and H.Y. Zhang J. Agric. Food Chem. 51 2003 7722
12. D.Z. Chen, D.X. Kong, and H.Y. Zhang Acta Chim. Sin. 60 2002 234
13. X.L. Wang, L.F. Wang, and H.Y. Zhang Dyes Pigments 63 2004 23
14. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, and J.J.P. Stewart J. Am. Chem. Soc. 107 1985 3902
15. J.S. Wright, D.J. Carpenter, D.J. McKay, and K.U. Ingold J. Am. Chem. Soc. 119 1997 4245
16. G.A. DiLabio, D.A. Pratt, A.D. LoFaro, and J.S. Wright J. Phys. Chem. A 103 1999 1653
17. Y.M. Sun, H.Y. Zhang, and D.Z. Chen Chin. J. Chem. 19 2001 657
18. Y.M. Sun, D.Z. Chen, and C.B. Liu J. Mol. Struct. (Theochem) 618 2002 181
19. D.X. Kong, D.Z. Chen, and H.Y. Zhang Chin. J. Struct. Chem. 19 2000 449
20. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaroni, R. Gomperts, 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, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, gaussian 98 (Revision A.11), Gaussian, Inc., Pittsburgh, PA, 1998.
21. S.V. Meille, L. Malpezzi, G. Allegra, and G. Nasini Acta Crystallogr. C45 1989 628
22. H.Y. Zhang Acta Biochim. Biophys. Sin. 30 1998 272
23. I. Gutman, Z. Markovic, and L. Marjanovic Indian J. Chem. 37A 1998 856
24. H.Y. Zhang J. Photochem. Photobiol. A: Chem. 126 1999 27
25. X.L. Wang, Z.L. Sun, W.Z. Liu, and H.Y. Zhang J. Shandong Univ. Tech. (Sci. Tech.) 17 2003 21