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34
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note
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In the case of 1,1,2,2-tetrakis(2,6-diethylphenyl)-1,2-disilirane, the 1:1 adduct of the disilirane and benzonitrile was also produced; however, the 1:2 adduct was not detected as well as the case of 1b.
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The AM1 [19a] and B3LYP [19b] calculations were carried out using the GAUSSIAN-94 program: (a) M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, J.R. Cheeseman, T. Leith, G.A. Peterson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, M. Challacombe, 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.J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh, 1995. (b) M.J.S. Dewar, C.X. Jie, Organometallics. 6 (1987) 486. (c) A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
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40
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The AM1 [19a] and B3LYP [19b] calculations were carried out using the GAUSSIAN-94 program: (a) M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, J.R. Cheeseman, T. Leith, G.A. Peterson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, M. Challacombe, 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.J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh, 1995. (b) M.J.S. Dewar, C.X. Jie, Organometallics. 6 (1987) 486. (c) A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
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The AM1 [19a] and B3LYP [19b] calculations were carried out using the GAUSSIAN-94 program: (a) M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, J.R. Cheeseman, T. Leith, G.A. Peterson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, M. Challacombe, 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.J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh, 1995. (b) M.J.S. Dewar, C.X. Jie, Organometallics. 6 (1987) 486. (c) A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
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|