Electronic structure and ionization energies of palladium and platinum N-heterocyclic carbene complexes

Dalton Transactions

Volumn , Issue 7, 2005, Pages 1214-1220

  Green, Jennifer C ^a   Herbert, Benjamin J ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYLATION; ELECTRONIC STRUCTURE; IONIZATION; PALLADIUM COMPOUNDS; PHOTOELECTRON SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; PROTONS; SYNTHESIS (CHEMICAL); TRANSITION METALS;

IONIZATION ENERGIES; MOLECULAR IONS; ORBITAL ENERGIES; X-RAY STRUCTURES;

COMPLEXATION;

EID: 17144380770     PISSN: 14779226     EISSN: None     Source Type: Journal    
DOI: 10.1039/b418133f     Document Type: Article

References (34)

1. K. Öfele, J. Organomet. Chem., 1968, 12, P42.
2. H. W. Wanzlick and H. J. Schoenherr, Angew. Chem., Int. Ed. Engl., 1968, 7, 141.
3. A. J. Arduengo, III, R. L. Harlow and M. Kline, J. Am. Chem. Soc., 1991, 113, 361.
4. K. Oefele, W. A. Herrmann, D. Mihalios, M. Elison, E. Herdtweck, W. Scherer and J. Mink, J. Organomet. Chem., 1993, 459, 177.
5. W. A. Herrmann, C. Koecher, L. J. Goossen and G. R. J. Artus, Chem. Eur. J, 1996, 2, 1627.
6. T. Weskamp, V. P. W. Bohm and W. A. Herrmann, J. Organomet. Chem., 2000, 600, 12.
7. M. Regitz, Angew. Chem., Int. Ed. Engl., 1996, 35, 725.
8. R. M. Kissling, M. S. Viciu, G. A. Grasa, R. F. Germaneau, T. Gueveli, M.-C. Pasareanu, O. Navarro-Fernandez and S. P. Nolan, ACS Symp. Ser., 2003, 856, 323.
9. W. A. Herrmann, F. J. Kohl and J. Schwarz, Synth. Meth. Organomet. Inorg. Chem., 2000, 9, 84.
10. D. Bourissou, O. Guerret, F. P. Gabbaie and G. Bertrand, Chem. Rev., 2000, 100, 39.
11. S. Nolan, Abs. 59th Meeting ACS, Oklahoma, 2003, 90.
12. J. Guerra, Synlett, 2003, 423.
13. L. E. Manzer and C. A. Tolman, J. Am. Chem. Soc., 1975, 97, 1955.
14. M.-T. Lee and C.-H. Hu, Organometallics, 2004, 23, 976.
15. X. Hu, I. Castro-Rodriguez, K. Olsen and K. Meyer, Organometallics, 2004, 23, 755.
16. J. C. Green, R. G. Scurr, P. L. Arnold and F. G. N. Cloke, Chem. Commun., 1997, 1963.
17. B. te Velde and E. J. Baerends, J. Chem. Phys., 1992, 99, 84.
18. E. J. Baerends, J. A. Autschbach, A. Berces, C. Bo, P. M. Boerringter, L. Cavallo, D. P. Chong, L. Deng, R. M. Dickson, D. E. Ellis, L. Fan, T. H. Fischer, C. Fonseca-Guerra, S. J. van Gisbergen, J. A. Groeneveld, O. V. Gritsenko, M. Grüning, F. E. Harris, P. van den Hoek, H. Jacobsen, G. van Kessel, F. Kootstra, E. van Lenthe, V. P. Osinga, S. Patchkovskii, P. H. T. Philipsen, D. Post, C. C. Pye, W Ravenek, P. Ros, P. R. T. Schipper, G. Schreckenbach, J. G. Snijiders, M. Sola, M. Swart, D. Swerhone, G. te Velde, P. Vemooijis, L. Versluis, O. Visser, E. van Wezenbeek, G. Wiesenekker, S. K. Wolff, T. K. Woo, and T. Ziegler, in ADF 2002.02, Vrije Universiteit, Amsterdam, 2002.
19. S. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys., 1980, 58, 1200.
20. A. D. Becke, Phys. Rev. A, 1988, 38, 3098.
21. A. D. Becke, J. Chem. Phys., 1988, 88, 1053.
22. J. P. Perdew, Phys. Rev. B, 1986, 33, 8800.
23. E. van Lenthe, E. J. Baerends and J. G. Snijders, J. Chem. Phys., 1993, 99, 4597.
24. E. van Lenthe, E. J. Baerends and J. G. Snijders, J. Chem. Phys., 1994, 101, 9783.
25. E. van Lenthe, J. G. Snijders and E. J. Baerends, J. Chem. Phys., 1996, 105, 6505.
26. E. van Lenthe, R. van Leeuwen, E. J. Baerends and J. G. Snijders, Int. J. Quantum Chem., 1996, 57, 281.
27. E. van Lenthe, A. Ehlers and E. J. Baerends, J. Chem. Phys., 1999, 110, 8943.
28. T. Ziegler, NATO ASI SERIES, Ser. C, 1992, 378, 367.
29. M. R. Bray, R. J. Deeth, V. J. Paget and P. D. Sheen, Int. J. Quantum Chem., 1991, 61, 85.
30. J. E. Huheey and C. L. Huheey, J. Chem. Educ., 1972, 49, 227.
31. A. J. Arduengo, III, H. Bock, H. Chen, M. Denk, D. A. Dixon, J. C. Green, W. A. Herrmann, N. L. Jones, M. Wagner and R. West, J. Am. Chem. Soc., 1994, 116, 6641.
32. T. Ziegler and A. Rauk, Inorg. Chem., 1979, 18, 1558.
33. T. Ziegler and A. Rauk, Theor. Chim. Acta, 1977, 46, 1.
34. T. Ziegler and A. Rauk, Inorg. Chem., 1979, 18, 1755.