-
1
-
-
0039327782
-
-
Hurd, C. D.: Pollack, M. A. J. Am. Chem. Soc. 1939, 3, 550. Ralls, J. W.; Lundin, R. E.: Bailey, G. F. J. Org. Chem. 1963, 28, 3521. Schuler, F. W.; Murphys, G. W. J. Am. Chem. Soc. 1950, 72, 3155. Brower, K. R. J. Am. Chem. Soc. 1961, 83, 4370. Walling, C.; Naiman, M. J. Am. Chem. Soc. 1962, 84, 2628.
-
(1939)
J. Am. Chem. Soc.
, vol.3
, pp. 550
-
-
Hurd, C.D.1
Pollack, M.A.2
-
2
-
-
0009418235
-
-
Hurd, C. D.: Pollack, M. A. J. Am. Chem. Soc. 1939, 3, 550. Ralls, J. W.; Lundin, R. E.: Bailey, G. F. J. Org. Chem. 1963, 28, 3521. Schuler, F. W.; Murphys, G. W. J. Am. Chem. Soc. 1950, 72, 3155. Brower, K. R. J. Am. Chem. Soc. 1961, 83, 4370. Walling, C.; Naiman, M. J. Am. Chem. Soc. 1962, 84, 2628.
-
(1963)
J. Org. Chem.
, vol.28
, pp. 3521
-
-
Ralls, J.W.1
Lundin, R.E.2
Bailey, G.F.3
-
3
-
-
33847541123
-
-
Hurd, C. D.: Pollack, M. A. J. Am. Chem. Soc. 1939, 3, 550. Ralls, J. W.; Lundin, R. E.: Bailey, G. F. J. Org. Chem. 1963, 28, 3521. Schuler, F. W.; Murphys, G. W. J. Am. Chem. Soc. 1950, 72, 3155. Brower, K. R. J. Am. Chem. Soc. 1961, 83, 4370. Walling, C.; Naiman, M. J. Am. Chem. Soc. 1962, 84, 2628.
-
(1950)
J. Am. Chem. Soc.
, vol.72
, pp. 3155
-
-
Schuler, F.W.1
Murphys, G.W.2
-
4
-
-
0013261892
-
-
Hurd, C. D.: Pollack, M. A. J. Am. Chem. Soc. 1939, 3, 550. Ralls, J. W.; Lundin, R. E.: Bailey, G. F. J. Org. Chem. 1963, 28, 3521. Schuler, F. W.; Murphys, G. W. J. Am. Chem. Soc. 1950, 72, 3155. Brower, K. R. J. Am. Chem. Soc. 1961, 83, 4370. Walling, C.; Naiman, M. J. Am. Chem. Soc. 1962, 84, 2628.
-
(1961)
J. Am. Chem. Soc.
, vol.83
, pp. 4370
-
-
Brower, K.R.1
-
5
-
-
0039327781
-
-
Hurd, C. D.: Pollack, M. A. J. Am. Chem. Soc. 1939, 3, 550. Ralls, J. W.; Lundin, R. E.: Bailey, G. F. J. Org. Chem. 1963, 28, 3521. Schuler, F. W.; Murphys, G. W. J. Am. Chem. Soc. 1950, 72, 3155. Brower, K. R. J. Am. Chem. Soc. 1961, 83, 4370. Walling, C.; Naiman, M. J. Am. Chem. Soc. 1962, 84, 2628.
-
(1962)
J. Am. Chem. Soc.
, vol.84
, pp. 2628
-
-
Walling, C.1
Naiman, M.2
-
6
-
-
33845279007
-
-
For a review, see: Ziegler, F. E. Chem. Rev. 1988, 88, 1423.
-
(1988)
Chem. Rev.
, vol.88
, pp. 1423
-
-
Ziegler, F.E.1
-
7
-
-
33947296784
-
-
White, W. N.; Wolfarth, E. F. J. Org. Chem. 1970, 35, 2196, 3585. Coates, R. M.; Rogers, B. D.; Hobbs, S. J.; Peck, D. R.; Curran, D. P. J. Am. Chem. Soc. 1987, 109, 1160. Grieco, P. A.; Brandes, E. B.; McCann, S.; Clark, J. D. J. Org. Chem. 1989, 54, 5849. Brandes, E. B.; Grieco, P. A.; Gajewski, J. J. J. Org. Chem. 1989, 54, 515.
-
(1970)
J. Org. Chem.
, vol.35
, pp. 2196
-
-
White, W.N.1
Wolfarth, E.F.2
-
8
-
-
0001193489
-
-
White, W. N.; Wolfarth, E. F. J. Org. Chem. 1970, 35, 2196, 3585. Coates, R. M.; Rogers, B. D.; Hobbs, S. J.; Peck, D. R.; Curran, D. P. J. Am. Chem. Soc. 1987, 109, 1160. Grieco, P. A.; Brandes, E. B.; McCann, S.; Clark, J. D. J. Org. Chem. 1989, 54, 5849. Brandes, E. B.; Grieco, P. A.; Gajewski, J. J. J. Org. Chem. 1989, 54, 515.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 1160
-
-
Coates, R.M.1
Rogers, B.D.2
Hobbs, S.J.3
Peck, D.R.4
Curran, D.P.5
-
9
-
-
0001667614
-
-
White, W. N.; Wolfarth, E. F. J. Org. Chem. 1970, 35, 2196, 3585. Coates, R. M.; Rogers, B. D.; Hobbs, S. J.; Peck, D. R.; Curran, D. P. J. Am. Chem. Soc. 1987, 109, 1160. Grieco, P. A.; Brandes, E. B.; McCann, S.; Clark, J. D. J. Org. Chem. 1989, 54, 5849. Brandes, E. B.; Grieco, P. A.; Gajewski, J. J. J. Org. Chem. 1989, 54, 515.
-
(1989)
J. Org. Chem.
, vol.54
, pp. 5849
-
-
Grieco, P.A.1
Brandes, E.B.2
McCann, S.3
Clark, J.D.4
-
10
-
-
0000518212
-
-
White, W. N.; Wolfarth, E. F. J. Org. Chem. 1970, 35, 2196, 3585. Coates, R. M.; Rogers, B. D.; Hobbs, S. J.; Peck, D. R.; Curran, D. P. J. Am. Chem. Soc. 1987, 109, 1160. Grieco, P. A.; Brandes, E. B.; McCann, S.; Clark, J. D. J. Org. Chem. 1989, 54, 5849. Brandes, E. B.; Grieco, P. A.; Gajewski, J. J. J. Org. Chem. 1989, 54, 515.
-
(1989)
J. Org. Chem.
, vol.54
, pp. 515
-
-
Brandes, E.B.1
Grieco, P.A.2
Gajewski, J.J.3
-
14
-
-
0039920133
-
-
ACS Symposium Series 568; Cramer, C. J., Truhlar, D. G., Eds.; American Chemical Society: Washington, DC
-
(c) Storer, J. W.; Giesen, D. J.; Hawkins, G. D.; Lynch, G. C.; Cramer, C. J.; Truhlar, D. G.; Liotard, D. A. In Structure and Reactivity in Aqueous Solution; ACS Symposium Series 568; Cramer, C. J., Truhlar, D. G., Eds.; American Chemical Society: Washington, DC, 1994; p 24.
-
(1994)
Structure and Reactivity in Aqueous Solution
, pp. 24
-
-
Storer, J.W.1
Giesen, D.J.2
Hawkins, G.D.3
Lynch, G.C.4
Cramer, C.J.5
Truhlar, D.G.6
Liotard, D.A.7
-
15
-
-
0001718717
-
-
(d) Sehgal, A.; Shao, L.; Gao, J. J. Am. Chem. Soc. 1995, 117, 11337.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 11337
-
-
Sehgal, A.1
Shao, L.2
Gao, J.3
-
18
-
-
0000115013
-
-
Hilvert, D.; Nared, K. D. J. Am. Chem. Soc. 1988, 110, 5593. Hilvert, D.; Carpenter, S. H.; Nared, K. D.; Auditor, M.-T. Proc. Natl. Acad. Sci. U.S.A. 1988, 85, 4953. Jackson, D. Y.; Jacobs, J. W.; Sugasawara, R.; Reich, S. H.; Bartlett, P. A.; Schultz, P. G. J. Am. Chem. Soc. 1988, 110, 4841.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5593
-
-
Hilvert, D.1
Nared, K.D.2
-
19
-
-
0024042895
-
-
Hilvert, D.; Nared, K. D. J. Am. Chem. Soc. 1988, 110, 5593. Hilvert, D.; Carpenter, S. H.; Nared, K. D.; Auditor, M.-T. Proc. Natl. Acad. Sci. U.S.A. 1988, 85, 4953. Jackson, D. Y.; Jacobs, J. W.; Sugasawara, R.; Reich, S. H.; Bartlett, P. A.; Schultz, P. G. J. Am. Chem. Soc. 1988, 110, 4841.
-
(1988)
Proc. Natl. Acad. Sci. U.S.A.
, vol.85
, pp. 4953
-
-
Hilvert, D.1
Carpenter, S.H.2
Nared, K.D.3
Auditor, M.-T.4
-
20
-
-
0001500267
-
-
Hilvert, D.; Nared, K. D. J. Am. Chem. Soc. 1988, 110, 5593. Hilvert, D.; Carpenter, S. H.; Nared, K. D.; Auditor, M.-T. Proc. Natl. Acad. Sci. U.S.A. 1988, 85, 4953. Jackson, D. Y.; Jacobs, J. W.; Sugasawara, R.; Reich, S. H.; Bartlett, P. A.; Schultz, P. G. J. Am. Chem. Soc. 1988, 110, 4841.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 4841
-
-
Jackson, D.Y.1
Jacobs, J.W.2
Sugasawara, R.3
Reich, S.H.4
Bartlett, P.A.5
Schultz, P.G.6
-
21
-
-
0012017049
-
-
Dewar, M. J. S.; Healy, E. F. J. Am. Chem. Soc. 1984, 106, 7127. Vance, R. L.; Rondan, N. G.; Houk, K. N.; Jensen, F.; Borden, W. T.; Komornicki, A.; Wimmer, E. J. Am. Chem. Soc. 1988, 110, 2314-5.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 7127
-
-
Dewar, M.J.S.1
Healy, E.F.2
-
22
-
-
0001240817
-
-
Dewar, M. J. S.; Healy, E. F. J. Am. Chem. Soc. 1984, 106, 7127. Vance, R. L.; Rondan, N. G.; Houk, K. N.; Jensen, F.; Borden, W. T.; Komornicki, A.; Wimmer, E. J. Am. Chem. Soc. 1988, 110, 2314-5.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 2314-2315
-
-
Vance, R.L.1
Rondan, N.G.2
Houk, K.N.3
Jensen, F.4
Borden, W.T.5
Komornicki, A.6
Wimmer, E.7
-
23
-
-
0001461906
-
-
Wiest, O.; Black, K. A.; Houk, K. N. J. Am. Chem. Soc. 1994, 116, 10336-7.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 10336-10337
-
-
Wiest, O.1
Black, K.A.2
Houk, K.N.3
-
27
-
-
0000941252
-
-
Yamabe, S.; Okumoto, S.; Hayashi, T. J. Org. Chem. 1996, 61, 6218-6226.
-
(1996)
J. Org. Chem.
, vol.61
, pp. 6218-6226
-
-
Yamabe, S.1
Okumoto, S.2
Hayashi, T.3
-
28
-
-
0344591325
-
-
See, for example, the discussions in refs 5c and 5d on the relationship of solvent effects to transition state geometry
-
See, for example, the discussions in refs 5c and 5d on the relationship of solvent effects to transition state geometry.
-
-
-
-
29
-
-
0039327778
-
-
(a) Kupczyk-Subotkowska, L.; Subotkowski, W.; Saunders, W. H., Jr.; Shine, H. J. J. Am. Chem. Soc. 1992, 114, 3441.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 3441
-
-
Kupczyk-Subotkowska, L.1
Subotkowski, W.2
Saunders W.H., Jr.3
Shine, H.J.4
-
30
-
-
0039920134
-
-
(b) Kupczyk-Subotkowska, L.; Saunders, W. H., Jr.; Shine, H. J. J. Am. Chem. Soc. 1988, 110, 7153-9.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 7153-7159
-
-
Kupczyk-Subotkowska, L.1
Saunders W.H., Jr.2
Shine, H.J.3
-
31
-
-
0040513008
-
-
(c) Kupczyk-Subotkowska, L.; Saunders, W. H., Jr.; Shine, H. J.; Subotkowski, W. J. Am. Chem. Soc. 1993, 115, 5957.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 5957
-
-
Kupczyk-Subotkowska, L.1
Saunders W.H., Jr.2
Shine, H.J.3
Subotkowski, W.4
-
34
-
-
0000205622
-
-
and references therein
-
For a discussion, see: Wiest. O.; Houk, K. N.; Black, K. A.; Thomas, B. J. Am. Chem. Soc. 1995, 117, 8594 and references therein.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 8594
-
-
Wiest, O.1
Houk, K.N.2
Black, K.A.3
Thomas, B.4
-
35
-
-
0000729216
-
-
For related studies, see: (a) Houk, K. N.; Gustafson, S. M.; Black, K. A. J. Am. Chem. Soc. 1992, 114, 8565-72. (b) Storer, J. W.; Raimondi, L.; Houk, K. N. J. Am. Chem. Soc. 1994, 116, 9675. (c) Wiest, O.; Houk, K. N.; Black, K. A.; Thomas, B., IV. J. Am. Chem. Soc. 1995, 117, 8594.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 8565-8572
-
-
Houk, K.N.1
Gustafson, S.M.2
Black, K.A.3
-
36
-
-
0001474574
-
-
For related studies, see: (a) Houk, K. N.; Gustafson, S. M.; Black, K. A. J. Am. Chem. Soc. 1992, 114, 8565-72. (b) Storer, J. W.; Raimondi, L.; Houk, K. N. J. Am. Chem. Soc. 1994, 116, 9675. (c) Wiest, O.; Houk, K. N.; Black, K. A.; Thomas, B., IV. J. Am. Chem. Soc. 1995, 117, 8594.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 9675
-
-
Storer, J.W.1
Raimondi, L.2
Houk, K.N.3
-
37
-
-
0000205622
-
-
For related studies, see: (a) Houk, K. N.; Gustafson, S. M.; Black, K. A. J. Am. Chem. Soc. 1992, 114, 8565-72. (b) Storer, J. W.; Raimondi, L.; Houk, K. N. J. Am. Chem. Soc. 1994, 116, 9675. (c) Wiest, O.; Houk, K. N.; Black, K. A.; Thomas, B., IV. J. Am. Chem. Soc. 1995, 117, 8594.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 8594
-
-
Wiest, O.1
Houk, K.N.2
Black, K.A.3
Thomas B. IV4
-
38
-
-
0029917440
-
-
Beno, B. R.; Houk, K. N.; Singleton, D. A. J. Am. Chem. Soc. 1996, 118, 9984-5.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 9984-9985
-
-
Beno, B.R.1
Houk, K.N.2
Singleton, D.A.3
-
39
-
-
0030909214
-
-
Singleton, D. A.; Merrigan, S. R.; Liu, J.; Houk, K. N. J. Am. Chem. Soc. 1997, 119, 3385-6.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 3385-3386
-
-
Singleton, D.A.1
Merrigan, S.R.2
Liu, J.3
Houk, K.N.4
-
40
-
-
0030690099
-
-
DelMonte, A. J.; Haller, J.; Houk, K. N.; Sharpless, K. B.; Singleton, D. A.; Strassner, T.; Thomas, A. A. J. Am. Chem. Soc. 1997, 119, 9907-9908.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 9907-9908
-
-
DelMonte, A.J.1
Haller, J.2
Houk, K.N.3
Sharpless, K.B.4
Singleton, D.A.5
Strassner, T.6
Thomas, A.A.7
-
46
-
-
0024841752
-
-
The calculations used the program QUIVER (Saunders, M.; Laidig, K. E.: Wolfsberg, M. J. Am. Chem. Soc. 1989, III, 8989) with Becke3LYP. RHF, MP2, and AMI frequencies scaled by 0.9614,0.91,0.943, and 0.953, respectively. (Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502). CASSCF and MP4(SDQ) scaling factors of 0.9015 and 0.951, respectively, were based on a least-squares fit with the scaled Becke3LYP frequencies for the starting allyl vinyl ether.
-
(1989)
J. Am. Chem. Soc.
, vol.3
, pp. 8989
-
-
Saunders, M.1
Laidig, K.E.2
Wolfsberg, M.3
-
47
-
-
0011083273
-
-
The calculations used the program QUIVER (Saunders, M.; Laidig, K. E.: Wolfsberg, M. J. Am. Chem. Soc. 1989, III, 8989) with Becke3LYP. RHF, MP2, and AMI frequencies scaled by 0.9614,0.91,0.943, and 0.953, respectively. (Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502). CASSCF and MP4(SDQ) scaling factors of 0.9015 and 0.951, respectively, were based on a least-squares fit with the scaled Becke3LYP frequencies for the starting allyl vinyl ether.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16502
-
-
Scott, A.P.1
Radom, L.2
-
50
-
-
0344159725
-
-
note
-
trans positions, respectively, which are within experimental error of the values found for allyl phenyl ether.
-
-
-
-
51
-
-
0344591329
-
-
This method was developed by S. R. Merrigan in this laboratory
-
This method was developed by S. R. Merrigan in this laboratory.
-
-
-
-
52
-
-
0001555150
-
-
Lu, D.-h.; Maurice, D.; Truhlar, D. G. J. Am. Chem. Soc. 1990, 112, 6206.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 6206
-
-
Lu, D.-H.1
Maurice, D.2
Truhlar, D.G.3
-
55
-
-
0345022420
-
-
note
-
1.9 - 1 = 1.2% when expected values for the old KIEs are calculated from the new.
-
-
-
-
56
-
-
0006894658
-
-
and references therein
-
For a dual-level calculational approach to advanced calculations of isotope effects in reactions involving multiple heavy atoms, see: Roberto-Neto, O.; Coitin̄o, E. L.; Truhlar, D. G. J. Phys. Chem. A. 1998, 102, 4568, and references therein.
-
(1998)
J. Phys. Chem. A.
, vol.102
, pp. 4568
-
-
Roberto-Neto, O.1
Coitino, E.L.2
Truhlar, D.G.3
-
57
-
-
0033593307
-
-
Singleton, D. A.; Merrigan, S. R.; Thomas, A. A. Tetrahedron Lett. 1999, 40, 639-642.
-
(1999)
Tetrahedron Lett.
, vol.40
, pp. 639-642
-
-
Singleton, D.A.1
Merrigan, S.R.2
Thomas, A.A.3
-
58
-
-
2642662943
-
-
Glad, S. S.; Jensen, F. J. Am. Chem. Soc. 1994, 116, 9302. Nielsen, P. Aa.; Glad, S. S.; Jensen, F. J. Am. Chem. Soc. 1996, 118, 10577-83.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 9302
-
-
Glad, S.S.1
Jensen, F.2
-
59
-
-
0029844520
-
-
Glad, S. S.; Jensen, F. J. Am. Chem. Soc. 1994, 116, 9302. Nielsen, P. Aa.; Glad, S. S.; Jensen, F. J. Am. Chem. Soc. 1996, 118, 10577-83.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 10577-10583
-
-
Nielsen, P.A.A.1
Glad, S.S.2
Jensen, F.3
-
61
-
-
0001329652
-
-
More O'Ferrall, R. A. J. Chem. Soc. B 1970, 274. Jencks, W. P. Chem. Rev. 1972, 72, 705.
-
(1972)
Chem. Rev.
, vol.72
, pp. 705
-
-
Jencks, W.P.1
-
62
-
-
0004517544
-
-
Burton, G. W.; Sims, L. B.: Wilson, J. C.; Fry, A. J. Am. Chem. Soc. 1977, 99, 3371.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 3371
-
-
Burton, G.W.1
Sims, L.B.2
Wilson, J.C.3
Fry, A.4
-
63
-
-
0001687107
-
-
Gajewski, J. J.; Conrad, N. D. J. Am. Chem. Soc. 1979, 101, 6693. Gaiewski, J. J. Acc. Chem. Res. 1980, 13, 142.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 6693
-
-
Gajewski, J.J.1
Conrad, N.D.2
-
64
-
-
0000052365
-
-
Gajewski, J. J.; Conrad, N. D. J. Am. Chem. Soc. 1979, 101, 6693. Gaiewski, J. J. Acc. Chem. Res. 1980, 13, 142.
-
(1980)
Acc. Chem. Res.
, vol.13
, pp. 142
-
-
Gaiewski, J.J.1
|