Energy decomposition analysis of metal-metal bonding in [M 2X8]2- (X = Cl, Br) complexes of 5f (U, Np, Pu), 5d (W, Re, Os), and 4d (Mo, Tc, Ru) elements

Inorganic Chemistry

Volumn 46, Issue 9, 2007, Pages 3557-3565

  Cavigliasso, Germán ^a   Kaltsoyannis, Nikolas ^b  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34248357864     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic0623260     Document Type: Article

References (30)

1. Souter, P. F.; Kushto, G. P.; Andrews, L.; Neurock, M. J. Am. Chem. Soc. 1997, 119, 1682.
2. Pepper, M.; Bursten, B. E. J. Am. Chem. Soc. 1990, 112, 7803.
3. (a) Gagliardi, L.; Roos, B. O. Nature 2005, 433, 848.
4. (b) Roos, B. O.; Malmqvist, P. A.; Gagliardi, L. J. Am. Chem. Soc. 2006, 128, 17000.
5. Archibong, E. F.; Ray, A. K. Phys. Rev. A: At., Mol., Opt. Phys. 1999, 60, 5105.
6. Straka, M.; Pyykkö, P. J. Am. Chem. Soc. 2005, 127, 13090.
7. Cayton, R. H.; Novo-Gradac, K. J.; Bursten, B. E. Inorg. Chem. 1991, 30, 2265.
8. Roos, B. O.; Gagliardi, L. Inorg. Chem. 2006, 45, 803.
9. La Macchia, G.; Brynda, M.; Gagliardi, L. Angew. Chem., Int. Ed. 2006, 45, 6210.
10. Cavigliasso, G.; Kaltsoyannis, N. Inorg. Chem. 2006, 45, 6828.
11. Cavigliasso, G.; Kaltsoyannis, N. Dalton Trans. 2006, 5476.
12. ADF, SCM, Theoretical Chemistry; Vrije Universiteit: Amsterdam, The Netherlands. http://www.scm.com.
13. Fonseca Guerra, C.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Theor. Chem. Acc. 1998, 99, 391.
14. te Velde, G.; Bickelhaupt, F. M.; van Gisbergen, S. J. A.; Fonseca Guerra, C.; Baerends, E. J.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931.
15. Handy, N. C.; Cohen, A. J. Mol. Phys. 2001, 99, 403.
16. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
17. van Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1993, 99, 4597.
18. van Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1994, 101, 9783.
19. van Lenthe, E.; Ehlers, A. E.; Baerends, E. J. J. Chem. Phys. 1999, 110, 8943.
20. MOLEKEL: An Interactive Molecular Graphics Tool; Swiss National Supercomputing Centre. http://www.cscs.ch/molekel/.
21. Portmann, S.; Lüthi, H. P. Chimia 2000, 54, 766.
22. Schaftenaar, G.; Noordik, J. H. MOLDEN: A Pre- and Post-Processing Program for Molecular and Electronic Structures, 2000. http://www.cmbi.ru. nl/molden/molden.html.
23. Schaftenaar, G.; Noordik, J. H. J. Comput.-Aided Mol. Design 2000, 14, 123.
24. Gagliardi, L.; Roos, B. O. Inorg. Chem. 2003, 42, 1599.
25. Saito, K.; Nakao, Y.; Sato, H.; Sakaki, S. J. Phys. Chem. A 2006, 110, 9710.
26. Ziegler, T.; Rauk, A. Inorg. Chem. 1979, 18, 1558.
27. Ziegler, T.; Rauk, A. Inorg. Chem. 1979, 18, 1755.
28. Bickelhaupt, F. M.; Baerends, E. J. Rev. Comput. Chem. 2000, 15, 1.
29. Bickelhaupt, F. M.; Bickelhaupt, F. Chem. - Eur. J. 1999, 5, 162.
30. Lein, M.; Szabó, A.; Kovács, A.; Frenking, G. Faraday Discuss. 2003, 124, 365.