On the insertion mechanism of molecular oxygen into a Pd(II)-H bond. Something to add

Chemical Physics Letters

Volumn 443, Issue 4-6, 2007, Pages 183-189

  Chowdhury, Sugata ^a   Rivalta, Ivan ^a   Russo, Nino ^a   Sicilia, Emilia ^a  

^a Distribuite Centro d'Eccellenza MURST   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; EXCITED STATES; PALLADIUM COMPOUNDS; PEROXIDES;

HYDROPEROXO COMPLEXES; SINGLET STATE; TRANSITION STATE;

MOLECULAR OXYGEN;

EID: 84962360849     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.06.073     Document Type: Article

References (36)

1. Stahl S.S. Science 309 (2005) 1824
2. Stahl S.S. Angew. Chem. Int. Ed. 43 (2004) 3400
3. Sigman M.S., and Schultz M.J. Org. Biomol. Chem. 2 (2004) 2551
4. Stoltz B.M. Chem. Lett. 33 (2004) 362
5. Nishimura T., and Uemura S. Synlett (2004) 201
6. Sheldon R.A., Arends I.W.C.E., ten Brink G.-J., and Dijksman A. Acc. Chem. Res. 35 (2002) 774
7. Toyota M., and Ihara M. Synlett (2002) 1211
8. Gligorich K.M., and Sigman M.S. Angew. Chem. Int. Ed. 45 (2006) 6612
9. Nishimura T., Onoue T., Ohe K., and Uemura S. J. Org. Chem. 64 (1999) 6750
10. Hosokawa T., and Murahashi S.-I. Acc. Chem. Res. 23 (1990) 49
11. Muzart J., and Pete J.P. J. Mol. Catal. 15 (1982) 373
12. Konnick M.M., Guzei I.A., and Stahl S.S. J. Am. Chem. Soc. 126 (2004) 10212
13. Stahl S.S., Thorman J.L., Nelson R.C., and Kozee M.A. J. Am. Chem. Soc. 123 (2001) 7188
14. Thiel W.R. Angew. Chem. 111 (1999) 3349
15. Thiel W.R. Angew. Chem. Int. Ed. 38 (1999) 3157
16. Landis C.R., Morales C.M., and Stahl S.S. J. Am. Chem. Soc. 126 (2004) 16302
17. Denney M.C., Smythe N.A., Cetto K.L., Kemp R.A., and Goldberg K.I. J. Am. Chem. Soc. 128 (2006) 2508
18. Keith J.M., Muller R.P., Kemp R.A., Goldberg K.I., Goddard III W.A., and Oxgaard J. Inorg. Chem. 45 (2006) 9631
19. Keith J.M., Nielsen R.J., Oxgaard J., and Goddard III W.A. J. Am. Chem. Soc. 127 (2005) 13172
20. Konnick M.M., Gandhi B.A., Guzei I.A., and Stahl S.S. Angew. Chem. Int. Ed. 45 (2006) 2904
21. Popp B.V., Wendlandt J.E., Landis C.R., and Stahl S.S. Angew. Chem. Int. Ed. 46 (2007) 601
22. Popp B.V., and Stahl S.S. J. Am. Chem. Soc. 129 (2007) 4410
23. Becke A.D. J. Chem. Phys. 98 (1993) 5648
24. Stephens P.J., Devlin F.J., Chabalowski C.F., and Frisch M.J. J. Phys. Chem. 98 (1994) 11623
25. Frisch M.J., et al. Gaussian 03, Revision A.1 (2003), Gaussian, Inc., Pittsburgh, PA
26. Andrae D., Häußermann U., Dolg M., Stoll H., and Preuß H. Theor. Chim. Acta 77 (1990) 123
27. Fukui K. J. Phys. Chem. 74 (1970) 4161
28. Gonzalez C., and Schlegel H.B. J. Chem. Phys. 90 (1989) 2154
29. Ovchinnicov A.A., and Labanowski J.K. Phys. Rev. A 53 (1996) 3946
30. Harvey J.N., Aschi M., Schwarz H., and Koch W. Theor. Chem. Acc. 99 (1998) 95
31. Miertus S., Scrocco E., and Tomasi J. Chem. Phys. 55 (1981) 117
32. Miertus S., and Tomasi J. Chem. Phys. 65 (1982) 239
33. Pascual-Ahuir J.L., Silla E., Tomasi J., and Bonaccorsi R. J. Comput. Chem. 8 (1987) 778
34. Pierotti R.A. Chem. Rev. 76 (1976) 717
35. Caillet J., and Clavarie P. Acta Crystallogr., Sect. B 34 (1978) 3266
36. Farrugia L.R. J. Appl. Crystallogr. 30 (1997) 565