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24
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12344278418
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note
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1H NMR.
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25
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12344278040
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note
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2 under an oxygen atmosphere gave 4a in only 10% yield, with an unidentified mixture.
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26
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0001298427
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The reaction of 1a and 2b with indium catalyst undergoes cyclotrimerization instead of hydrosilylation. Tanke, R. S.; Crabtree, R. H. J. Am. Chem. Soc. 1990, 112, 7984.
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0345491105
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MO calculations with Gaussian 98 were made at the Information Processing Center (Nara University of Education). Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
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Frisch, M.J.1
Trucks, G.W.2
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Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
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Komaromi, I.41
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Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
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Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
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32
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12344322959
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note
-
343 relative to reactants 2a and oxygen is 39.2 kcal/mol.
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33
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12344262393
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7d See, for example: Sana, M.; Leroy, G.; Villaveces, J. L. Theor. Chim. Acta (Berlin) 1984, 65, 109.
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Sana, M.1
Leroy, G.2
Villaveces, J.L.3
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34
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12344286389
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note
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3 and the σ-complex Y is stable (ΔG = -17.7 kcal/mol).
-
-
-
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36
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12344315328
-
-
note
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2.
-
-
-
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37
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0000185886
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For the hydride donor ability of 2a, see: Mayr, H.; Basso, N.; Hagen, G. J. Am. Chem. Soc. 1992, 114, 3060.
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Mayr, H.1
Basso, N.2
Hagen, G.3
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38
-
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12344255279
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note
-
1H NMR) proceeded in 37% (for 1a) and 47% (for 1c) conversion to give 3a and 3c, respectively. Therefore, the radical and ionic processes compete under these reaction conditions. Some inconsistency in isolated yields may arise from the possibilities that the reaction completed after treatment with water or the °-addition reaction is accelerated by weak Lewis acids or catalytic Lewis acid.
-
-
-
-
39
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12344258209
-
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note
-
2 attack.
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