-
1
-
-
34247565955
-
-
Beeson, T. D., Mastracchio, A., Hong, J.-B., Ashton, K., and MacMillan, D. W. C. Science 2007, 316, 582
-
(2007)
Science
, vol.316
, pp. 582
-
-
Beeson, T.D.1
Mastracchio, A.2
Hong, J.-B.3
Ashton, K.4
Macmillan, D.W.C.5
-
2
-
-
34250205588
-
-
Jang, H.-Y., Hong, J.-B., and MacMillan, D. W. C. J. Am. Chem. Soc. 2007, 129, 7004
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 7004
-
-
Jang, H.-Y.1
Hong, J.-B.2
Macmillan, D.W.C.3
-
4
-
-
57549095938
-
-
Graham, T. H., Jones, C. M., Jui, N. T., and MacMillan, D. W. C. J. Am. Chem. Soc. 2008, 130, 16494
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 16494
-
-
Graham, T.H.1
Jones, C.M.2
Jui, N.T.3
Macmillan, D.W.C.4
-
5
-
-
68849107137
-
-
Wilson, J. E., Casarez, A. D., and MacMillan, D. W. C. J. Am. Chem. Soc. 2009, 131, 11332
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 11332
-
-
Wilson, J.E.1
Casarez, A.D.2
Macmillan, D.W.C.3
-
6
-
-
67749114483
-
-
Nicolaou, K. C., Reingruber, R., Sarlah, D., and Bräse, S. J. Am. Chem. Soc. 2009, 131, 2086
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 2086
-
-
Nicolaou, K.C.1
Reingruber, R.2
Sarlah, D.3
Bräse, S.4
-
7
-
-
70149099966
-
-
Correction
-
Correction: J. Am. Chem. Soc. 2009, 131, 6640.
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 6640
-
-
-
8
-
-
69049104186
-
-
Conrad, J. C., Kong, J., Laforteza, B. N., and MacMillan, D. W. C. J. Am. Chem. Soc. 2009, 131, 11640
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 11640
-
-
Conrad, J.C.1
Kong, J.2
Laforteza, B.N.3
Macmillan, D.W.C.4
-
9
-
-
77951691798
-
-
The authors of ref 1f used (2 R,5 R)- 2 as the catalyst. Because our calculations and experiments were performed with the opposite enantiomer, this paper reports the study of catalyst (2 S,5 S)- 2
-
The authors of ref 1f used (2 R,5 R)- 2 as the catalyst. Because our calculations and experiments were performed with the opposite enantiomer, this paper reports the study of catalyst (2 S,5 S)- 2.
-
-
-
-
10
-
-
1842661169
-
-
For ortho -selective radical additions to aromatics, see: Abramovitch, R. A., Ed.; Plenum Press: New York
-
For ortho -selective radical additions to aromatics, see: Tiecco, M. and Testaferri, L. In Reactive Intermediates; Abramovitch, R. A., Ed.; Plenum Press: New York, 1983; Vol. 3, p 61.
-
(1983)
Reactive Intermediates
, vol.3
, pp. 61
-
-
Tiecco, M.1
Testaferri, L.2
-
11
-
-
34249671130
-
-
Guadarrama-Morales, O., Mendéz, F., and Miranda, L. D. Tetrahedron Lett. 2007, 48, 4515
-
(2007)
Tetrahedron Lett.
, vol.48
, pp. 4515
-
-
Guadarrama-Morales, O.1
Mendéz, F.2
Miranda, L.D.3
-
12
-
-
0028357496
-
-
Muchowski, J. M., Cho, I. S., Jaime-Figueroa, S., and Artis, R. D. J. Org. Chem. 1994, 59, 2456
-
(1994)
J. Org. Chem.
, vol.59
, pp. 2456
-
-
Muchowski, J.M.1
Cho, I.S.2
Jaime-Figueroa, S.3
Artis, R.D.4
-
13
-
-
0003374018
-
-
For a study of the stability of cyclohexadienyl radicals, see
-
For a study of the stability of cyclohexadienyl radicals, see: Birch, A. J., Hinde, A. L., and Radom, L. J. Am. Chem. Soc. 1980, 102, 4074
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 4074
-
-
Birch, A.J.1
Hinde, A.L.2
Radom, L.3
-
14
-
-
0038626673
-
-
With the exceptions of 14, 15- E, 15- Z, and 19* - 24, which were optimized in the gas phase, all of the geometries were optimized in water (CPCM model) using DFT at the UB3LYP/6-31G(d) level, as implemented in the Gaussian03 suite of programs (; et al., revision C.02; Gaussian, Inc.: Wallingford, CT). Model cations and radicals 19* - 24* were optimized using both CBS-QB3 (Gaussian 03) and UB3LYP/6-31G(d). All of the stationary points were verified by vibrational frequency analysis. Single-point calculations were also performed using M06-2X/6-31+G(d), as implemented in Gaussian09 (; et al. Gaussian 09, revision A.1; Gaussian, Inc.: Wallingford, CT, 2009). Each of the computed structures is designated with an asterisk (). The resulting energies are reported in kcal/mol in all figures and schemes
-
With the exceptions of 14, 15- E, 15- Z, and 19* - 24 which were optimized in the gas phase, all of the geometries were optimized in water (CPCM model) using DFT at the UB3LYP/6-31G(d) level, as implemented in the Gaussian03 suite of programs (Frisch, M. J.; et al. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004). Model cations and radicals 19* - 24* were optimized using both CBS-QB3 (Gaussian 03) and UB3LYP/6-31G(d). All of the stationary points were verified by vibrational frequency analysis. Single-point calculations were also performed using M06-2X/6-31+G(d), as implemented in Gaussian09 (Frisch, M. J.; et al. Gaussian 09, revision A.1; Gaussian, Inc.: Wallingford, CT, 2009). Each of the computed structures is designated with an asterisk (). The resulting energies are reported in kcal/mol in all figures and schemes.
-
(2004)
Gaussian 03
-
-
Frisch, M.J.1
Frisch, M.J.2
-
15
-
-
69249110075
-
-
Olah, G. A., Prakash, G. K. S., and Rasul, G. Chem. - Eur. J. 2009, 15, 8443
-
(2009)
Chem. - Eur. J.
, vol.15
, pp. 8443
-
-
Olah, G.A.1
Prakash, G.K.S.2
Rasul, G.3
-
16
-
-
33751553791
-
-
No, K.-T., Grant, J. A., Jhon, M.-S., and Scheraga, H. A. J. Phys. Chem. 1990, 94, 4740
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 4740
-
-
No, K.-T.1
Grant, J.A.2
Jhon, M.-S.3
Scheraga, H.A.4
-
17
-
-
0001044729
-
-
Würthwein, E.-U., Sen, K. D., Pople, J. A., and Schleyer, P. v. R. Inorg. Chem. 1983, 22, 496
-
(1983)
Inorg. Chem.
, vol.22
, pp. 496
-
-
Würthwein, E.-U.1
Sen, K.D.2
Pople, J.A.3
Schleyer, P.V.R.4
-
18
-
-
77951672247
-
-
Unpublished results
-
Unpublished results.
-
-
-
-
19
-
-
77951689575
-
-
See the Supporting Information
-
See the Supporting Information.
-
-
-
-
20
-
-
0033606254
-
-
For an example of water-assisted reactivity of radical cations, see
-
For an example of water-assisted reactivity of radical cations, see: Heinemann, C. and Demuth, M. J. Am. Chem. Soc. 1999, 121, 4894
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 4894
-
-
Heinemann, C.1
Demuth, M.2
-
21
-
-
77951687344
-
-
This study is underway and will be reported in due course
-
This study is underway and will be reported in due course.
-
-
-
-
22
-
-
39849111345
-
-
For examples, see
-
For examples, see: Zhao, Y. and Truhlar, D. G. J. Phys. Chem. A 2008, 112, 1095
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 1095
-
-
Zhao, Y.1
Truhlar, D.G.2
-
23
-
-
58149235202
-
-
Hohenstein, E. G., Chill, S. T., and Sherrill, C. D. J. Chem. Theory Comput. 2008, 4, 1996
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 1996
-
-
Hohenstein, E.G.1
Chill, S.T.2
Sherrill, C.D.3
-
24
-
-
43449103082
-
-
Valdes, H., Pluháčková, K., Pitonák, M., Řezáč, J., and Hobza, P. Phys. Chem. Chem. Phys. 2008, 10, 2747
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 2747
-
-
Valdes, H.1
Pluháčková, K.2
Pitonák, M.3
Řezáč, J.4
Hobza, P.5
-
25
-
-
0001486103
-
-
The preferred planar methoxy conformation holds true for anisole. For example, see
-
The preferred planar methoxy conformation holds true for anisole. For example, see: Emsley, J. W., Foord, E. K., and Lindon, J. C. J. Chem. Soc., Perkin Trans. 2 1998, 1211
-
(1998)
J. Chem. Soc., Perkin Trans. 2
, pp. 1211
-
-
Emsley, J.W.1
Foord, E.K.2
Lindon, J.C.3
-
26
-
-
0033516334
-
-
Sakurai, S., Meinander, N., Morris, K., and Laane, J. J. Am. Chem. Soc. 1999, 121, 5056
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 5056
-
-
Sakurai, S.1
Meinander, N.2
Morris, K.3
Laane, J.4
-
27
-
-
0035810445
-
-
Moon, S., Kwon, Y., Lee, J., and Choo, J. J. Phys. Chem. A 2001, 105, 3221
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 3221
-
-
Moon, S.1
Kwon, Y.2
Lee, J.3
Choo, J.4
|