A theoretical study on tautomerism of 2-mercaptobenzimidazole and its analogues

Acta Chimica Sinica

Volumn 65, Issue 16, 2007, Pages 1561-1567

  Guo, Yong Min ^a   Li, Bao Zong ^a  

^a SOOCHOW UNIVERSITY   (China)

Author keywords

2 mercaptobenzimidazole; 2 mercaptoimidazole; Density functional theory method; Self consistent reaction field; Tautomerization

Indexed keywords

EID: 77951432668     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (17)

1. Liu Y. Fine and Specialty Chemicals 2005 13 12 (in Chinese).
2. Zhanataev A. K, Dumev A. D, Seredin S. B. Bull. Exp. Biol. Med. 2000 130 1077.
3. Wang L, Pu J. X, Luo H. C. Corros. Sci. 2003 45 677.
4. Liang X. Q, Zheng W. X, Wong N. B, Li J. S, Tian A. M. J. Mol. Struct. 2004 672 151.
5. Douhal A, Lahmani F, Zewail A. H. Chem. Phys. 1996 207 477.
6. Zhang H, Xue Y, Xie D.-Q, Yan G.-S. Acta Chim. Sinica 2005 63 791(in Chinese).
7. Ren Y, Li M, Wong N. B. J. Mol. Model. 2005 11 167.
8. Zhu H. J, Ren Y, Ren J, Li J. S, Chu S. Y. J. Mol. Struct. (THEOCHEM) 2005 730 199.
9. Becke D. J. Chem. Phys. 1993 98 5648.
10. Lee C, Yang W, Parr R. G. Phys. Rev. B 1988 37 785.
11. Zhou Z.-Y, Wu X, Su Z.-M, Xie Y.-Z, Pan X.-M, Ding W.-B. Acta Chim. Sinica 2004 62 2244 (in Chinese).
12. Liang G.-M, Ren Y. Acta Chim. Sinica 2005 63 2163 (in Chinese).
13. Li B.-Z. Acta Chim. Sinica 2006 64 278 (in Chinese).
14. Tomasi J, Persico M. Chem. Rev. 1994 94 2027.
15. Fernandez-Ramos A, Smedarchina Z, Siebrand W, Zgierski M. Z. J. Chem. Phys. 2000 113 9714.
16. Gontrani L, Mennucci B, Tomasi J. J. Mol. Struct. (THEOCHEM) 2000 500 113.
17. Jalkanen K. J, Nieminen R. M, Frimand K, Bohr J, Bohr H, Wade R. C, Tajkhorshid E, Suhai S. Chem. Phys. 2001 265 125.