A DFT study on the structures and absorption spectra of the M-1-nitroso-2-naphthol complexes (M = Ni, Cu, Cr, Cd, Pb)

Journal of Molecular Structure: THEOCHEM

Volumn 775, Issue 1-3, 2006, Pages 29-37

  Tüǧsüz, Tuǧba ^a   Sevin, Fatma ^a  

^a HACETTEPE UNIVERSITY   (Turkey)

Author keywords

1 nitroso 2 naphthol; Cd(II); Cr(II); Cu(II); DFT B3LYP Lanl2dz; M 1 nitroso 2 naphthol complexes; NBO; Ni(II); Pb(II); PCM; TD DFT

Indexed keywords

EID: 33748984622     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.07.004     Document Type: Article

References (17)

1. Tanii K., Hosimiya H., and Ikeda T. Nippon Kagaku Kaishi 61 (1940) 269
2. Jago J., Wilson P.E., and Lee B.M. Analyst 96 (1971) 349
3. Hageman L., Torma L., and Ginther B.E. J. Assoc. Official Anal. Chemists 58 (1975) 990
4. Simmons W.J. Anal. Chem. 45 (1973) 1947
5. Yun J., and Choi H. Talanta 52 (2000) 893-902
6. Nishino H., Satoh H., Yamashita M., and Kurosawa K. J. Chem. Soc. Perkin Trans. 2 (1999) 1919-1924
7. Lee S., and Choi H. Bull. Korean Chem. Soc. 24 (2003) 1705-1707
8. Krzan A., and Mavri J. Chem. Phys. 277 (2002) 71-76
9. Lee J., Chen L., West A.H., and Richter-Addo G.B. Chem. Rev. 102 (2002) 1019-1065
10. Kaplan S.F., Kukushkin V.Y., and Pombeiro A.J.L. J. Chem. Soc. Dalton Trans. 22 (2001) 3279-3284
11. Kohn W., and Sham L.J. Phys. Rev. A 137 (1965) 1697
12. Becke A.D. J. Chem. Phys. 98 (1993) 5648
13. Lee C., Yang W., and Parr G. Phys. Rev. B 37 (1988) 785
14. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 270
15. 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,GAUSSIAN 03, Revision B.03, Gaussian, Inc., Pittsburgh PA, 2003.
16. Ciofini I., Lainé P.P., Bedioui F., and Adamo C.J. Am. Chem. Soc. 126 (2004) 10763
17. Ciofini I., Daul C., and Adamo C.J. Phys. Chem. A 107 (2003) 11182