A high-level ab initio investigation of identity and nonidentity gas-phase SN2 reactions of halide ions with halophosphines

Author:

Sølling Theis I.,Pross Addy,Radoma Leo

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Spectroscopy,Condensed Matter Physics,Instrumentation

Reference31 articles.

1. For recent gas-phase studies, see for example: J.M. Van Doren, C.H. DePuy, V. M. Bierbaum, J. Phys. Chem. 93 (1989) 1130; C.H. DePuy, S. Gronert, A. Mullin, V.M. Bierbaum, J. Am. Chem. Soc. 112 (1990) 8650; W.B. Knighton, J.A. Bognar, P.M. O’Connor, E. P. Grimsrud, ibid. 115 (1993) 12079; D.M. Cyr, G. Scarton, M.A. Johnson, J. Chem. Phys. 99 (1993) 4869; S.T. Graul, M.T. Bowers, J. Am. Chem. Soc. 116 (1994) 3875; C. Li, P. Ross, J.E. Szulejko, T.B. McMahon, ibid. 118 (1996) 9360.

2. See for example: S.R. Van de Linde, W.L. Hase, J. Phys. Chem. 94 (1990) 2778; X.G. Zhao, S.C. Tucker, D.G. Truhlar, J. Am. Chem. Soc. 113 (1991) 826; S. Gronert, ibid. 113 (1991) 6041; S. Shaik, H.B. Schlegel, S. Wolfe, Theoretical Aspects of Organic Chemistry, The SN2 Mechanism, Wiley, New York, 1992; I. Lee, C.K. Kim, D.S. Chung, B.-S. Lee, J. Org. Chem. 59 (1994) 4490; D.J. Mann, W.L. Hase, J. Phys. Chem. A 102 (1998) 6208.

3. M.N. Glukhovtsev, A. Pross, L. Radom, J. Am. Chem. Soc. 117 (1995) 2024; 118 (1996) 6273.

4. W.N. Olmstead, J.I. Brauman, J. Am. Chem. Soc. 99 (1977) 4219; M.J. Pellerite, J.I. Brauman, ibid. 102 (1980) 5993; M.J. Pellerite, J.I. Brauman, ibid. 105 (1983) 2672.

5. Gas-Phase Identity SN2 Reactions of Halide Ions at Neutral Nitrogen: A High-Level Computational Study

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