Donor-acceptor properties of ligands from the natural orbitals for chemical valence

Organometallics

Volumn 26, Issue 26, 2007, Pages 6576-6580

  Mitoraj, Mariusz ^a   Michalak, Artur ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); ELECTRON TRANSPORT PROPERTIES; LIGANDS; METAL COMPLEXES; MOLECULAR ORBITALS; VALENCE BANDS;

DONOR-ACCEPTOR PROPERTIES; ELECTRON TRANSFER PROCESSES; METAL-CONTAINING FRAGMENTS; NATURAL ORBITAIS FOR CHEMICAL VALENCE (NOCV);

ORGANOMETALLICS;

EID: 38049161294     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om700754n     Document Type: Article

References (41)

1. Dewar, M. J. S. Bull. Soc. Chim. 1951, 18, C71.
2. Chatt, J.; Duncanson, J. A. J. Chem. Soc. 1953, 3, 2939.
3. Cotton, F. A., Wilkinson, G. Advanced Inorganic Chemistry, Wiley: New York, 1998.
4. Solomon, E. I.; Lever, A. B. P. Inorganic Electronic Structure and Spectroscopy; Wiley: New Jersey, 2006.
5. Elschenbroich, C. Organometallics: Wiley-VCH: Weinheim, 2005.
6. Pruchnik, F. Organometallic Chemistry of Transition Metal Elements; New York, 1990.
7. Frenking, G.; Fröhlich, N. Chem. Rev 2000, 100, 717, and references therein.
8. Tolman, C. A. J. Am. Chem. Soc. 1970, 92, 2656.
9. Tolman, C. A. J. Am. Chem. Soc. 1970, 92, 2953.
10. Bartik, T.; Himmler, T.; Schulte, H. G.; Seevogel, K J. Organomet. Chem. 1984, 272, 29.
11. Gray, G.; Krainhazel, C. S. J. Organomet. Chem. 1983, 241, 201.
12. Strohmeier, W. Angew. Chem. 1964, 76, 873.
13. Strohmeier, W.; Müller, F. J. Chem. Ber. 1967, 100, 2812.
14. Cotton, F. A.; Edwards, W. T.; Rauch, F. C.; Graham, M. A.; Perutz, R. N.; Turner, J. J. J. Coord. Chem. 1973, 2, 247.
15. Cotton, F. A.; Darensbourg, D. J.; Ilsley, W. A. Inorg, Chem. 1981, 20, 578.
16. Bodner, G. M.; Gagnon, C.; Whittern, D. N. J. Organomet. Chem. 1983, 243, 305.
17. Russel, C.; Bush; Angelici, R. J. Inorg. Chem. 1988, 27, 681.
18. Ziegler, T.; Autschbach, J. Chem. Rev. 2005, 105, 2695.
19. Dapprich, S.; Frenking, G. J. Phys. Chem. 1995, 99, 9352.
20. Ehlers, A. W.; Dapprich, S.; Vyboishchikov, S. F.; Frenking, G. Organometallics 1996, 15, 105.
21. Frenking, G.; Wichmann, K.; Fröchlich, N.; Grobe, J.; Golla, W.; Le Van, D.; Krebs, B.; Läge, M. Organometallics 2002, 21, 2921.
22. Pacchioni, G.; Bagus, P. S. Inorg. Chem. 1992, 31, 4391.
23. Bagus, P. S.; Hermann, K.; Bauschlicher, C. W. J. Chem. Phys. 1984, 80, 4378.
24. Fantucci, P.; Polezzo, S.; Sironi, M.; Bencini, A. J. Chem. Soc., Dalton Trans. 1995, 4121.
25. Gonzáles-Blanco, O.; Branchadell, V. Organometallics 1997, 16, 5556.
26. Ruiz-Morales, Y.; Ziegler, T. J. Phys. Chem A 1998, 102, 3970.
27. Suresh, C. H.; Koga, N. Inorg. Chem. 2002, 41, 1573.
28. Morokuma, K. J. Chem. Phys. 1971, 55, 1236.
29. Ziegler, T.; Rauk, A. Inorg. Chem. 1979, 18, 1755.
30. Ziegler, T.; Rauk, A. Inorg. Chem. 1979, 18, 1558.
31. Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1998, 88, 899.
32. Mitoraj, M.; Michalak, A. J. Mol. Model. 2007, 13, 347.
33. TeVelde, G; Bickelhaupt, F. M.; Baerends, E. J.; Fonseca Guerra, C.; Van Gisbergen, S.J.A.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931, and references therein.
34. Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41.
35. Baerends, E. J.; Ros, P. Chem. Phys. 1973, 2, 52.
36. te Velde, G.; Baerends, E. J. J. Comput. Phys. 1992, 99, 84.
37. Fonseca, C. G.; Visser, O.; Snijders, J. G.; te Velde, G.; Baerends, E. J. In Methods and Techniques in Computational Chemistry, METECC-95; Clementiv, E., Corongiu, G., Eds.; STEF: Cagliari, Italy, 1995; p 305.
38. Becke, A. Phys. Rev. A 1988, 38, 3098.
39. Perdew, J. P. Phys. Rev. B 1986, 34, 7406.
40. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
41. Nalewajski, R. F.; Mrozek, J.; Michalak, A. Int. J. Quantum Chem. 1997, 61, 589.