-
3
-
-
0000865546
-
-
Gronert, S.; DePuy, C. H.; Bierbaum, V. M. J. Am. Chem. Soc. 1991, 113, 4009.
-
(1991)
J. Am. Chem. Soc
, vol.113
, pp. 4009
-
-
Gronert, S.1
DePuy, C.H.2
Bierbaum, V.M.3
-
4
-
-
31444432943
-
-
Villano, S. M.; Kato, S.; Bierbaum, V. M. J. Am. Chem. Soc. 2006, 128, 736.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 736
-
-
Villano, S.M.1
Kato, S.2
Bierbaum, V.M.3
-
5
-
-
0001239352
-
-
Rabasco, J. J.; Gronert, S.; Kass, S. R. J. Am. Chem. Soc. 1994, 116, 3133.
-
(1994)
J. Am. Chem. Soc
, vol.116
, pp. 3133
-
-
Rabasco, J.J.1
Gronert, S.2
Kass, S.R.3
-
7
-
-
0000857930
-
-
Bierbaum, V. M.; Filley, J.; DePuy, C. H.; Jarrold, M. F.; Bowers, M. T. J. Am. Chem. Soc. 1985, 107, 2818.
-
(1985)
J. Am. Chem. Soc
, vol.107
, pp. 2818
-
-
Bierbaum, V.M.1
Filley, J.2
DePuy, C.H.3
Jarrold, M.F.4
Bowers, M.T.5
-
11
-
-
0034836083
-
-
Gronert, S.; Pratt, L. M.; Mogali, S. J. Am. Chem. Soc. 2001, 123, 3081.
-
(2001)
J. Am. Chem. Soc
, vol.123
, pp. 3081
-
-
Gronert, S.1
Pratt, L.M.2
Mogali, S.3
-
12
-
-
34247894520
-
-
N2 channel (accounting for the contribution of the added alkyl group).
-
N2 channel (accounting for the contribution of the added alkyl group).
-
-
-
-
13
-
-
34247845122
-
-
All frequency calculations were completed with Gaussian03 at the HF/6-31+G(d) level for bromides and HF/6-311+G(d) level for iodides (Radom's all-electron iodide basis set was used). Energies at MP2 level. Details in Supporting Information. Frisch, M. J.; et al. Gaussian 03, revision B04; Gaussian, Inc.: Pittsburgh, PA, 2003.
-
All frequency calculations were completed with Gaussian03 at the HF/6-31+G(d) level for bromides and HF/6-311+G(d) level for iodides (Radom's all-electron iodide basis set was used). Energies at MP2 level. Details in Supporting Information. Frisch, M. J.; et al. Gaussian 03, revision B04; Gaussian, Inc.: Pittsburgh, PA, 2003.
-
-
-
-
14
-
-
13944274816
-
-
Hasanayn, F.; Streitwieser, A.; Al-Rifai, R. J. Am. Chem. Soc. 2005, 127, 2249.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 2249
-
-
Hasanayn, F.1
Streitwieser, A.2
Al-Rifai, R.3
-
15
-
-
34247894523
-
-
N2 reactions of methyl halides, but the single α-hydrogen and special features of the iodide leaving group in i-PrI combine to give a normal one.
-
N2 reactions of methyl halides, but the single α-hydrogen and special features of the iodide leaving group in i-PrI combine to give a normal one.
-
-
-
-
19
-
-
34247897752
-
-
3OD (ESI and substrate) with no significant effect on the HX to DX elimination ratio.
-
3OD (ESI and substrate) with no significant effect on the HX to DX elimination ratio.
-
-
-
-
20
-
-
34247883386
-
-
Using typical ab initio imaginary frequencies, the tunneling contribution leads to only 70% increase in kH relative to k D
-
D.
-
-
-
-
21
-
-
0034811732
-
-
Sun, L.; Hase, W. L.; Song, K. J. Am. Chem. Soc. 2001, 123, 5753.
-
(2001)
J. Am. Chem. Soc
, vol.123
, pp. 5753
-
-
Sun, L.1
Hase, W.L.2
Song, K.3
-
22
-
-
34247843545
-
-
A truncated Boltzmann distribution would have the same effect
-
A truncated Boltzmann distribution would have the same effect.
-
-
-
-
23
-
-
34247885011
-
-
3 also suggest an E2 isotope effect of about 7 with these nucleophiles.
-
3 also suggest an E2 isotope effect of about 7 with these nucleophiles.
-
-
-
|