On the electronic structure of distorted cubic rhodium cluster complexes containing bridging germanium or phosphorus ligands

Journal of Cluster Science

Volumn 18, Issue 3, 2007, Pages 720-728

  Zouchoune, Bachir ^a,b,c   Saillard, Jean Yves ^c   Halet, Jean François ^c  

^a UNIVERSITY OF OUM EL BOUAGHI   (Algeria)

^b Universite Mentouri Constantine   (Algeria)

^c UNIVERSITÉ DE RENNES 1   (France)

Author keywords

DFT calculations; Electronic structure; Transition metal clusters

Indexed keywords

EID: 34548491841     PISSN: 10407278     EISSN: 15728862     Source Type: Journal    
DOI: 10.1007/s10876-007-0145-6     Document Type: Article

References (31)

1. See for example: (a) J.-F. Halet and J.-Y. Saillard (1997). Struct. Bond. 87, 81.
2. (b) R. Gautier, J.-F. Halet, and J.-Y. Saillard, in P. Braunstein, L. Oro, and P. R. Raithby (eds.), Metal Clusters in Chemistry (Wiley-VCH, New York, 1999), Vol. 3, p. 1643, and references therein
3. (a) K. Wade, in B. F. G. Johnson (ed.), Transition Metal Clusters (Wiley, Chichester, U.K., 1980), p 193.
4. (b) D. M. P. Mingos and D. J. Wales, Introduction to Cluster Chemistry (Prentice Hall International Editions, Englewood Cliffs, NJ, 1990)
5. (a) J. K. Burdett and G. J. Miller (1987). J. Am, Chem. Soc. 109, 4081.
6. (b) G. G. Hoffman, J. K. Bashkin and M. Karplus (1990). J. Am, Chem. Soc. 112, 8705.
7. (c) N. Rösch, L. Ackermann, and G. Pacchioni (1993). Inorg. Chem. 32, 2963
8. E. Furet, A. Le Beuze, J.-F. Halet, and J.-Y. Saillard (1994). J. Am. Chem.Soc. 116, 274
9. (a) E. Furet, A. Le Beuze, J.-F. Halet, and J.-Y. Saillard (1995). J. Am. Chem. Soc. 117, 4936.
10. (b) R. Gautier, F. Ogliaro, J.-F. Halet, J.-Y. Saillard, and E. J. Baerends (1999). Eur. J. Inorg. Chem. 1161
11. B. Zouchoune, F. Ogliaro, J.-F. Halet, J.-Y. Saillard, J. R. Eveland, and K. H. Whitmire (1998). Inorg. Chem. 37, 865
12. R. Gautier, J.-F. Halet, and J.-Y. Saillard (1999). Eur. J. Inorg. Chem. 673
13. R. D. Adams and J. L. Smith (2005). Inorg. Chem. 44, 4276
14. A. M. Arif, R. A. Jones, D. E. Heaton, C. M. Nunn and S. T. Schwab (1988). Inorg. Chem. 27, 254
15. (a) V. G. Albano, P. Chini, G. Ciani, S. Martinengo, and M. Sensoni (1978). J. Chem. Soc., Dalton Trans. 463.
16. (b) J. Rimmelin, P. Lemoine, M. Gross, R. Mathieu, and D. De Montauzon (1986). J. Organomet. Chem. 309, 355
17. V. G. Albano, M. Sensoni, P. Chini, S. Martinengo, and D. Strumolo (1975). J. Chem. Soc., Dalton Trans. 305
18. ADF2004.01, Scientific Computing and Modelling NV, Theoretical Chemistry (Vrije Universiteit: Amsterdam, The Netherlands, http://www.scm.com)
19. (a) E. J. Baerends, D. E. Ellis, and P. Ros (1973). Chem. Phys. 2, 41.
20. (b) E. J. Baerends, D. E. Ellis, and P. Ros (1978). Int. J. Quantum. Chem. S12, 169.
21. (c) P. H. Boerrigter, G. te Velde, and E. J. Baerends (1988). Int. J. Quantum. Chem, 33, 87.
22. (d) G. te Velde and E. J. Baerends (1992). J. Comput. Phys. 99, 84.
23. (e) C. Fonseca Guerra, J. G. Snijders, G. te Velde, and E. J. Baerends (1998). Theo. Chem. Ace. 99, 391.
24. (f) G. te Velde, F. M. Bickelhaupt, S. J. A. van Gisbergen, C. Fonseca Guerra, E. J. Baerends, J. G. Snijders, and T. Ziegler, (2001). J. Comput. Chem. 22, 931
25. S. Vosko, L. Wilk, and M. Nusair (1990). Can. J. Chem. 58, 1200
26. (a) A. D. Becke (1986). J. Chem. Phys. 84, 4524.
27. (b) A. D. Becke (1988). Phys. Rev. A84, 4524
28. (a) J. P. Perdew (1986). Phys. Rev. B33, 8882.
29. (b) J. P. Perdew (1986). Phys. Rev. B34, 7406
30. L. Versluis and T. Ziegler (1988) J. Chem. Phys. 88, 332
31. 2g HOMO of 1.3 eV