Metal ion complexes of thioformin: A density functional study

Polyhedron

Volumn 26, Issue 18, 2007, Pages 5301-5308

  Kakkar, Rita ^a   Dua, Amita ^a   Gahlot, Pragya ^a  

^a UNIVERSITY OF DELHI   (India)

Author keywords

Bonding; DFT; Electronic structures; Metal ion complexes; Thiohydroxamic acids; UB3LYP

Indexed keywords

CHEMICAL BONDS; COORDINATION REACTIONS; ISOMERS; METAL IONS; SULFUR; ZINC COMPOUNDS;

BONDING; CO-ORDINATION CHEMISTRIES; DENSITY-FUNCTIONAL STUDY; DFT; ELECTRONIC.STRUCTURE; METAL-ION COMPLEXES; OXIDE IONS; SULPHUR ATOMS; THIOHYDROXAMIC ACID; UB3LYP;

ELECTRONIC STRUCTURE;

EID: 35548975887     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2007.07.049     Document Type: Article

References (31)

1. Kakkar R., Grover R., and Gahlot P. Polyhedron 25 (2006) 759
2. Kakkar R., Grover R., and Gahlot P. J. Mol. Struct.: THEOCHEM 767 (2006) 175
3. Walter W., and Schaumann E. Synthesis 3 (1971) 111 and references cited therein
4. Mizukami S., and Nagata K. Coord. Chem. Rev. 3 (1968) 267
5. Chimiak A., Przychodzen W., and Rachon J. Heteroatom Chem. 13 (2002) 169
6. Kakkar R., Sharma R., and Dua A. Spectrochim. Acta A 62 (2005) 819
7. Kang B.S., Xu Y.J., Peng J.H., Wu D.X., Chen X.T., Hu Y.H., Hong M.C., and Lu J.X. Polyhedron 12 (1993) 871
8. Chen X., Hu Y., Wu D., Weng L., and Kang B. Polyhedron 10 (1991) 2651
9. Sakurai H., Sano H., Takino T., and Yasui H. Chem. Lett. 28 (1999) 913
10. Cliff C.A., Fallon G.D., Gatehouse B.M., Murray K.S., and Newman P.J. Inorg. Chem. 19 (1980) 773
11. Abu-Dari K., and Raymond K.N. Inorg. Chem. 30 (1991) 519
12. Abu-Dari K., Hahn F.E., and Raymond K.N. J. Am. Chem. Soc. 112 (1990) 1519
13. Bell S.J., Friedman S.A., and Leong J. Antimicrob. Agents Chemother. 15 (1979) 384
14. Egawa Y., Umino K., Ito Y., and Okuda T. J. Antibiot. 24 (1971) 124
15. Egawa Y., Umino K., Awataguchi S., Kawano Y., and Okuda T. J. Antibiot. 23 (1970) 267
16. Shirahata K., Hayashi T., and Matsubara I. J. Antibiot. 24 (1971) 140
17. Itoh S., Inuzuka K., and Suzuki T. J. Antibiot. 23 (1970) 542
18. Martinez-Molina E., Del Rio L.A., and Olivares J. J. Appl. Bacteriol. 41 (1976) 69
19. Shirahata K., Deguchi T., Hayashi T., Matsubara I., and Suzuki T. J. Antibiot. 23 (1970) 546
20. S. Miyamura Japan Patent 87087; Chem. Abstr. 2 (1973) p. 189.
21. Becke A.D. Phys. Rev. A 38 (1988) 3098
22. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
23. Vosko S.H., Wilk L., and Nusair M. Can. J. Phys. 58 (1980) 1200
24. Scott A.P., and Radom L. J. Phys. Chem. 100 (1996) 16502
25. 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 and J.A. Pople (2003) gaussian 03, Revision B.5, Gaussian Inc., Pittsburgh PA.
26. Clements J.M., Beckett R.P., Brown A., Catlin G., Lobell M., Palan S., Thomas W., Whittaker M., Wood S., Salama S., Baker P.J., Rodgers H.F., Barynin V., Rice D.W., and Hunter M.G. Antimicrob. Agents Chemother. 45 (2001) 563
27. Shannon R.D. Acta Crystallogr. Sect., A 32 (1976) 751
28. Irving H., and Williams R.J.P. J. Chem. Soc. (1953) 3192
29. Wiberg K.B. Tetrahedron 24 (1968) 1083
30. Del Rio L.A., Lopez George J., Olivares J., and Mayor F. Antimicrob. Agents Chemother. 2 (1972) 189
31. Leong J., and Bell S.J. Inorg. Chem. 17 (1978) 1886