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0038655123
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note
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(a) For a summary of references concerning the use of the secondary α-deuterium isotopic effect (α-kie) as a mechanistic probe and, in particular, for characterizing solvolytic reactions of secondary alkyl arenesulfonates, see refs 8b and c.
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12
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37049091203
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14
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0037978790
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note
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N1 substrate that reacts with rate-limiting ionization with no internal return. Recent results confirm that it ionizes without methyl participation in the rate-determining step and that methyl migration occurs rapidly after formation of the secondary tight ion pair.
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15
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0038316225
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note
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3; 70E)
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17
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0038655122
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note
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(b) Taken from ref 10d.
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18
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0037978783
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note
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(c) Oxygen-18 scrambling studies were performed according to the procedure outlined in ref 8c.
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(a) Possibility of a steric factor being responsible for less internal return in the case of solvolysis of the (Z)-isomer has been previously canvassed.
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24
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(b) 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.; 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. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.11.3; Gaussian, Inc.: Pittsburgh, PA, 1998.
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more..
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0038316216
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imag = 0 and 1, respectively.
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0037978774
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note
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3) involves the formation of the (Z)- tight ion pair, which may undergo internal return or competitively invert to the (E)- ion pair.
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(a) BIPCON instrument was a modification of the equipment utilized by Tilley and Shiner. A full description is given by Milne.
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41
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Milne, I. R. Ph.D. Thesis, University of Adelaide, Adelaide, Australia, 2002.
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