Electron-transfer reactivity in the activation of organic fluorides by bare metal monocations

Chemical Physics Letters

Volumn 273, Issue 3-4, 1997, Pages 164-170

  Harvey, Jeremy N ^a   Schröder, Detlef ^a   Koch, Wolfram ^a   Danovich, David ^b   Shaik, Sason ^b   Schwarz, Helmut ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031577255     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00560-5     Document Type: Article

References (31)

1. [1] For a comprehensive review of fluorine chemistry, see the special issue, Chem. Rev. 96 (1996) 1555.
2. [2] G.C. Saunders, Angew. Chem. 108 (1996) 2783, and references therein.
3. [3] For an introduction, see: B.S. Freiser, J. Mass Spectrom. 31 (1996) 705.
4. [4] A. Bjarnason, Organometallics 15 (1996) 3275.
5. [5] H.H. Cornehl, G. Hornung, H. Schwarz, J. Am. Chem. Soc. 118 (1996) 9960.
6. [6] M.T. Bowers, J.B. Laudenslager, J. Chem. Phys. 56 (1972) 4711.
7. [7] A. Schäfer, H. Horn, R. Ahlrichs, J. Chem. Phys. 97 (1992) 2571.
8. [8] T.H. Dunning, Jr., P.J. Hay, in: Modern Theoretical Chemistry, H.F. Schaefer, III, (Ed.), Plenum, New York, 1976, p. 1.
9. [9] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94, Revision B.3, Gaussian, Pittsburgh, PA, 1995.
10. [10] H. Partridge, J. Chem. Phys. 87 (1987) 6643.
11. [11] P.-O. Widmark, B.J. Persson, B.O. Roos, Theor. Chim. Acta 79 (1991) 419.
12. [12] Molpro 96.4 is a package of ab initio programs written by H.-J. Werner and P.J. Knowles, with contributions from: J. Almlöf, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor, R. Lindh.
13. [13] J. Verbeek, J.H. Langenberg, C.P. Byrman, J.H. van Lenthe, TURTLE - An ab initio VB/VBSCF/VBCI program, Theoretical Chemistry Group, Debye Institute, University of Utrecht, 1993.
14. [14] P.C. Hiberty, S. Humbel, P. Archirel, J. Phys. Chem. 98 (1994) 11697.
15. [15] Thermochemical data are from: M.W. Chase, Jr., C.A. Davies, J.R. Downey, Jr., D.J. Frurip, R.A. McDonald and A.N. Syverud, J. Phys. Chem. Ref. Data, 14 (1985) Suppl. 1 (JANAF Thermochemical Tables).
16. [16] J.E. Murphy, J.M. Berg, A.J. Merer, N. Harris, R.W. Field, Phys. Rev. Lett. 65 (1990) 1861.
17. [17] G. Bouchoux, J.Y. Salpin, D. Leblanc, Int. J. Mass Spectrom. Ion Processes 153 (1996) 37.
18. [18] H.H. Cornehl, C. Heinemann, D. Schröder, H. Schwarz, Organometallics 14 (1995) 992.
19. [19] M.T. Nguyen, S. Creve, L.G. Vanquickenborne, J. Phys. Chem., 100 (1996) 18422, and references therein.
20. [20] M.N. Glukhovtsev, R.D. Bach, A. Pross, L. Radom, Chem. Phys. Lett. 260 (1996) 558.
21. [21] H.T. Thümmel, C.W. Bauschlicher Jr., J. Phys. Chem. A 101 (1997) 1188.
22. [22] See for example: M.C. Holthausen, W. Koch, J. Am. Chem. Soc. 118 (1996) 9932.
23. [23] A. Pross, S. Shaik, Acc. Chem. Res. 16 (1983) 363.
24. [24] S. Shaik, P. Maître, G. Sini, P.C. Hiberty, J. Am. Chem. Soc. 114 (1992) 7861.
25. [25] S. Shaik, in: New Concepts for Understanding Organic Reactions, J. Bertran, I.G. Csizmadia, NATO ASI Series, Vol. C267, (Eds.), Kluwer, Dordrecht, 1989.
26. [26] A. Sevin, P.C. Hiberty, J.-M. Lefour, J. Am. Chem. Soc. 109 (1987) 1845.
27. [27] See, for example: A.J.H.M. Meijer, G.C. Groenenboom, A. van der Avoird, J. Chem. Phys. 105 (1996) 2247.
28. [28] S. Shaik, Prog. Phys. Org. Chem. 15 (1985) 197.
29. [29] A. Sevin, P.C. Hiberty, J.-M. Lefour, J. Am. Chem. Soc. 109 (1987) 1845.
30. [30] See, for example: A.J.H.M. Meijer, G.C. Groenenboom, A. van der Avoird, J. Chem. Phys. 105 (1996) 2247.
31. [31] S. Shaik, Prog. Phys. Org. Chem. 15 (1985) 197.