Theoretical modeling of the structures and properties of copper(II) and nickel(II) complexes with schiff bases

Russian Journal of Inorganic Chemistry

Volumn 50, Issue 7, 2005, Pages 1036-1043

  Rogachev, A Yu ^a   Nemukhin, A V ^a   Granovskii, A A ^a   Kuz'mina, N P ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDES; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; NICKEL; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY; METAL-LIGAND BOND ENERGY; NATURAL BOND ORBITAL (NBO) MODEL; QUANTUM-CHEMICAL CALCULATIONS; SCHIFF BASES;

COPPER;

EID: 25144465951     PISSN: 00360236     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (28)

1. S.-C. Cheng, C.-W. Chang, H.-H. Wei, et al., J. Chinese Chem. Soc. 50, 41 (2003).
2. F. El-Bahraoui, O. Wiest, D. Feichtinger, and D. A. Plattner, Angew. Chem. Int. 40 (11), 2073 (2001).
3. J.-P. Costes, F. Dahan, A. Dupius, and J.-P. Laurent, J. Chem. Soc., Dalton Trans., 1307 (1998).
4. J. J. Stephanos, L. M. Jackson, and A. W. Addison, J. Inorg. Biochem. 73, 137 (1999).
5. D. Hall, A. D. Rae, and T. N. Waters, J. Chem. Soc., 5898 (1963).
6. M. M. Bhadbhade and D. Srinivas, Inorg. Chem. 32, 6122 (1993).
7. D. Hall and T. N. Waters, J. Chem. Soc., 2644 (1960).
8. L. Chi-Chang, L. Shi-Xiong, S. Shi, et al., Chinese J. Struct. Chem., 133 (1990).
9. L. M. Shkol'nikova, E. M. Yumal', E. A. Shugam, and V. A. Voblikova, Zh. Strukt. Khim., No. 11, 886 (1970).
10. A. G. Manfredotti and C. Guastini, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 39, 863 (1983).
11. M. Ryazanov, V. Nikiforov, F. Lloret, et al., Inorg. Chem. 41, 1816 (2001).
12. N. P. Kuz'mina, A. Yu. Rogachev, F. M. Spiridonov, et al., Zh. Neorg. Khim. 45 (9), 1468 (2000)
13. [Russ. J. Inorg. Chem. 45 (9), 1340 (2000)].
14. N. P. Kuz'mina, M. V. Ryazanov, V. A. Ketsko, and A. N. Gleiz, Zh. Neorg. Khim. 47 (1), 30 (2002)
15. [Russ. J. Inorg. Chem. 47 (1), 26 (2002)].
16. I. Ramade, O. Kahn, Y. Jeannin, and F. Robert, Inorg. Chem. 36, 930 (1997).
17. A. Bencini, C. Benelli, A. Caneschi, et al., Inorg. Chem. 25, 572 (1986).
18. N. B. O'Bryan, T. O. Maier, I. C. Paul, and R. S. Drago, J. Am. Chem. Soc. 95, 6640 (1973).
19. K. A. Leslie, R. S. Drago, G. D. Stucky, et al., Inorg. Chem. 18, 1885 (1979).
20. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B: Condens. Matter 37, 785 (1988).
21. W. J. Stevens, M. Krauss, and H. Bash, Can. J. Chem. Phys. 70, 612 (1993).
22. R. Cundari and W. J. Stevens, J. Chem. Phys. 98, 5555 (1993).
23. A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev. 88, 899 (1988).
24. A. A. Granovsky, http://www.classic.chem.msu/gran/gamess/index.html.
25. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, et al., J. Comput. Chem. 14, 1347 (1993).
26. V. I. Vovna, L. B. Lvov, S. N. Slabzhennikov, and A. Yu. Ustinov, J. Electron Spectrosc. Relat. Phenom. 88-91, 109 (1998).
27. A. Yu. Rogachev, A. V. Nemukhin, N. P. Kuz'mina, and D. V. Sevast'yanov, Dokl. Akad. Nauk 389 (5), 634 (2003)
28. [Dokl. Chem. 389 (4-6), 87 (2003)].