Structure and bonding of [E-Cp-E′]+ complexes (E and E′ = B-Tl; Cp = cyclopentadienyl)

Organometallics

Volumn 27, Issue 6, 2008, Pages 1106-1111

  Fernández, Israel ^a   Cerpa, Erick ^b   Merino, Gabriel ^b   Frenking, Gernot ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b UNIVERSITY OF GUANAJUATO   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

BONDING; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; LIGANDS;

ENERGY PATHWAY; HOMOLEPTIC COMPLEXES;

ORGANOMETALLICS;

EID: 41749096579     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om700994y     Document Type: Article

References (30)

1. Gemei, C.; Steinke, T.; Cokoja, M.; Kempter, A.; Fischer, R. A. Eur. J Inorg. Chem. 2004, 4161.
2. Cowley, A. H. Chem. Commun. 2004, 2369.
3. Aldridge, S.; Coombs, D. L. Coord. Chem. Rev. 2004, 248, 535.
4. Linti, G.; Schnockel, H. Coord. Chem. Rev. 2000, 206, 285.
5. Fischer, R. A.; Weiss, J. Angew. Chem., Int. Ed. 1999, 38, 2831.
6. Merino, G.; Beltran, H. I.; Vela, A. Inorg. Chem. 2006, 45, 1091.
7. Rayon, V. M.; Frenking, G. Chem.-Eur. J. 2002, 8, 4693.
8. Jutzi, P.; Burford, N. Chem. Rev. 1999, 99, 969.
9. Steinke, T.; Gemel, C.; Winter, M.; Fischer, R. A. Chem. Eur. J. 2005, 11, 1636.
10. Buchin, B.; Gemel, C.; Cadenbach, T.; Schmid, R.; Fischer, R. A. Angew. Chem., Int. Ed. 2006, 45, 1074.
11. Buchin, B.; Gemel, C.; Cadenbach, T.; Fernández, I.; Frenking, G.; Fischer, R. A. Angew. Chem., Int. Ed. 2006, 45, 5207.
12. Baerends, E. J. et. al. ADF 2006-01; Scientific Computing & Modelling NV: Amsterdam, The Netherlands (http://www.scm.com/), 2006.
13. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
14. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
15. Snijders, J. G.; Baerends, E. J.; Vernooijs, P. At. Data Nucl. Data Tables 1982, 26, 483.
16. Chang, C.; Pelissier, M.; Durand, P. Phys. Ser. 1986, 34, 394.
17. Lindroth, E.; Heully, J. L.; Lindgren, I.; Martenssonpendrill, A. M. J. Phys. B: At. Mol. Opt. Phys. 1987, 20, 1679.
18. van Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1993, 99, 4597.
19. van Lenthe, E.; Snijders, J. G.; Baerends, E. J. J. Chem. Phys. 1996, 105, 6505.
20. van Lenthe, E.; van Leeuwen, R.; Baerends, E. J.; Snijders, J. G. Int. J. Quantum Chem. 1996, 57, 281.
21. Hirshfeld, F. L. Theor. Chim. Acta 1977, 44, 129.
22. Ziegler, T.; Rauk, A. Theor. Chim. Acta 1977, 46, 1.
23. Morokuma, K. J. Chem. Phys. 1971, 55, 1236.
24. Frenking, G.; Wichmann, K.; Frohlich, N.; Loschen, C.; Lein, M.; Frunzke, J.; Rayon, V. M. Coord. Chem. Rev. 2003, 238, 55.
25. Esterhuysen, C.; Frenking, G. Theor. Chem. Acc. 2004, 111, 381.
26. Kovacs, A.; Esterhuysen, C.; Frenking, G. Chem. Eur. J. 2005, 11, 1813.
27. Lein, M.; Frenking, G., In Theory and Applications of Computational Chemistry: The First 40 Years; Dykstra, C. E., Frenking, G., Kim, K. S., E., S. G., Eds.; Elsevier: Amsterdam, 2005; Vol. 291.
28. Krapp, A.; Bickelhaupt, F. M.; Frenking, G. Chem.-Eur. J. 2006, 12, 9196.
29. Alexandratos, S.; Streitwieser, A.; Schaefer, H. F. J. Am. Chem. Soc. 1976, 98, 7959.
30. Jemmis, E. D.; Schleyer, P. v. R. J. Am. Chem. Soc. 1982, 104, 4781.