A density functional study on the formation of charge transfer complexes between alkaloids and iodine monochloride

Journal of Molecular Structure: THEOCHEM

Volumn 686, Issue 1-3, 2004, Pages 25-30

  Tang, Ling Tian ^a   Wei, Yu ^a   Wang, Yi ^a   Hu, Shao Wen ^a   Liu, Xin Qi ^a   Chu, Tai Wei ^a   Wang, Xiang Yun ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

Alkaloid; Charge transfer complex; DFT; Iodine monochloride

Indexed keywords

ALKALOID DERIVATIVE; IODINE DERIVATIVE; NITROGEN; OXYGEN DERIVATIVE; QUINOLONE DERIVATIVE; SOLVENT;

ARTICLE; COMPARATIVE STUDY; DENSITY FUNCTIONAL THEORY; ELECTROCHEMISTRY; ELECTRON; MOLECULE; STOICHIOMETRY;

EID: 7044269364     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.07.026     Document Type: Article

References (33)

1. H.A. Benesi, and J.H. Hildebrand J. Am. Chem. Soc. 70 1948 2832
2. P.Y. Cheng, D. Zhong, and A.H. Zewail J. Chem. Phys. 105 1996 6216
3. H. Destaillats, and R. Fernandez-Prini J. Chem. Soc. Faraday Trans. 94 1998 871
4. J.T. Su, and A.H. Zewail J. Phys. Chem. A 102 1998 4082
5. E. Lenderink, K. Duppen, F.P.X. Everdij, J. Mavri, R. Torre, and D.A. Wiersma Int. J. Quantum Chem. 75 1999 709
6. C.S. Sreekanth, M.S. Hegde, and C.N. Rao Spectrochim. Acta 43A 1987 471
7. S.S.C. Ammal, S.P. Ananthavel, J. Chandrasekhar, P. Venuvanalingam, and M.S. Hegde Chem. Phys. Lett. 248 1996 153
8. M. Tamres, and S.N. Bhat J. Phys. Chem. 75 1971 1057
9. M. Hasani, and M. Shamsipur Bull. Chem. Soc. Jpn 72 1999 2005
10. C. Rafik, J.-L.M. Abboud, and G. Guiheneuf J. Org. Chem. 48 1983 4761
11. N. Bricklebank, P.J. Skabara, D.E. Hibbs, M.B. Hursthouse, and K.M.A. Malik J. Chem. Soc. Dalton Trans. 1999 3007
12. M. Esseffar, W. Bouab, A. Lamasbhi, J.-L.M. Abboud, R. Notario, and M. Yanez J. Am. Chem. Soc. 122 2000 2300
13. S. Ma, and G. Wu J. Mol. Struct. 372 1995 127
14. E. Lenderink, K. Duppen, F.P.X. Everdij, J. Mavri, R. Torre, and D.A. Wiersma J. Phys. Chem. A 101 1997 4409
15. C. Ouvrard, J.-Y.L. Questel, M. Berthelot, and C. Laurence Acta Crystallogr. B 59 2003 512
16. S.P. Ananthavel, V. Jayaram, and M.S. Hegde J. Chem. Soc. Faraday Trans. 92 1996 1677
17. J.M.A. Thumwood, and A.C. Legon Chem. Phys. Lett. 310 1999 88
18. R.S. Mulliken J. Am. Chem. Soc. 72 1950 600
19. S.S.C. Ammal, S.P. Ananthavel, P. Venuvanalingam, and M.S. Hegde J. Phys. Chem. A 102 1998 532
20. O.Kh. Poleschuk, J. Koput, J.N. Latosinka, and B. Nogaj J. Mol. Struct. 513 1999 29
21. O.Kh. Poleschuk, and A.C. Legon Z. Naturforsch. 57a 2002 537
22. S.P. Ananthavel, and M. Manoharan Chem. Phys. 269 2001 49
23. S.M. Hubig, W. Jung, and J.K. Kochi J. Org. Chem. 59 1994 6233
24. D.E. Turner, R.F. O'Malley, D.J. Sardella, L.S. Barinelli, and P. Kaul J. Org. Chem. 59 1994 7335
25. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., 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, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, J.A. Pople, gaussian 98 (Revision A.9), Gaussian, Inc., Pittsburgh, PA, 1998.
26. M.N. Glukhovtsev, A. Pross, M.P. McGrath, and L. Radom J. Chem. Phys. 103 1995 1878 and references therein
27. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553
28. R.E. Willis Jr., and W.W. Clark III J. Chem. Phys. 72 1980 4946
29. J.A. Dean Lange's Handbook of Chemistry 15th ed. 1999 section 6
30. R.C. Weast CRC Handbook of Chemistry and Physics 61st ed. 1980 1981 218 221
31. I. Drepaul, V. Fagundez, F. Guiterrez, E.H. Lau, and J.A. Joens J. Org. Chem. 61 1996 3571
32. Z. Kebede, and S.-E. Lindquist Sol. Energ. Mat. Sol. C 57 1999 259
33. A.M. Lamsabhi, W. Bouab, M. Esseffar, M. Alcami, M. Yanez, and J.-L.M. Abboud New J. Chem. 25 2001 509