-
3
-
-
0000121785
-
-
c) P. G. Wenthold, D. A. Hrovat, W. T. Borden, W. C. Lineberger, Science 1996, 272, 1456;
-
(1996)
Science
, vol.272
, pp. 1456
-
-
Wenthold, P.G.1
Hrovat, D.A.2
Borden, W.T.3
Lineberger, W.C.4
-
4
-
-
0030972307
-
-
d) T. Bally. S. Chai, M. Neuenschwander, Z. Zhu, J. Am. Chem. Soc. 1997, 119, 1869;
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 1869
-
-
Bally, T.1
Chai, S.2
Neuenschwander, M.3
Zhu, Z.4
-
6
-
-
2542580391
-
-
a) S. Shaik, S. Zilberg, Y. Haas, Acc. Chem. Res. 1996, 29, 211;
-
(1996)
Acc. Chem. Res.
, vol.29
, pp. 211
-
-
Shaik, S.1
Zilberg, S.2
Haas, Y.3
-
8
-
-
0000638857
-
-
c) S. Zilberg, Y. Haas, S. Shaik, J. Phys. Chem. 1995, 99, 16558;
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 16558
-
-
Zilberg, S.1
Haas, Y.2
Shaik, S.3
-
9
-
-
0000152743
-
-
d) S. Shaik, A. Shurki, D. Danovich, P. C. Hiberty, J. Am. Chem. Soc. 1996, 118, 666;
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 666
-
-
Shaik, S.1
Shurki, A.2
Danovich, D.3
Hiberty, P.C.4
-
13
-
-
0003879317
-
-
VCH, Weinheim, chap. 4 and 6
-
M. Klessinger, J. Michl, Excited States and Photochemistry of Organic Molecules, VCH, Weinheim, 1995, chap. 4 and 6.
-
(1995)
Excited States and Photochemistry of Organic Molecules
-
-
Klessinger, M.1
Michl, J.2
-
14
-
-
0030834306
-
-
For a recent computational study of semibullvalenes: H. Jiao, R. Nagelkerke, H. A. Kurtz, R. V. Williams, W. T. Borden, P. von R. Schleyer, J. Am. Chem. Soc. 1997, 119, 5921.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5921
-
-
Jiao, H.1
Nagelkerke, R.2
Kurtz, H.A.3
Williams, R.V.4
Borden, W.T.5
Von Schleyer, P.R.6
-
15
-
-
0345692323
-
-
H. Quast, J. Christ, Angew. Chem. 1984, 96, 606; Angew. Chem. Int. Ed. Engl. 1984, 23, 631; H. Quast, K. Knoll, E.-M. Peters, K. Peters, H. G. von Schnering, Chem. Ber. 1993, 126, 1047; H. Quast, T. Herkert, A. Witzel, E.-M. Peters, K. Peters, H. G. von Schnering, ibid. 1994, 127, 921.
-
(1984)
Angew. Chem.
, vol.96
, pp. 606
-
-
Quast, H.1
Christ, J.2
-
16
-
-
84985534718
-
-
H. Quast, J. Christ, Angew. Chem. 1984, 96, 606; Angew. Chem. Int. Ed. Engl. 1984, 23, 631; H. Quast, K. Knoll, E.-M. Peters, K. Peters, H. G. von Schnering, Chem. Ber. 1993, 126, 1047; H. Quast, T. Herkert, A. Witzel, E.-M. Peters, K. Peters, H. G. von Schnering, ibid. 1994, 127, 921.
-
(1984)
Angew. Chem. Int. Ed. Engl.
, vol.23
, pp. 631
-
-
-
17
-
-
0000517531
-
-
H. Quast, J. Christ, Angew. Chem. 1984, 96, 606; Angew. Chem. Int. Ed. Engl. 1984, 23, 631; H. Quast, K. Knoll, E.-M. Peters, K. Peters, H. G. von Schnering, Chem. Ber. 1993, 126, 1047; H. Quast, T. Herkert, A. Witzel, E.-M. Peters, K. Peters, H. G. von Schnering, ibid. 1994, 127, 921.
-
(1993)
Chem. Ber.
, vol.126
, pp. 1047
-
-
Quast, H.1
Knoll, K.2
Peters, E.-M.3
Peters, K.4
Von Schnering, H.G.5
-
18
-
-
0000574938
-
-
H. Quast, J. Christ, Angew. Chem. 1984, 96, 606; Angew. Chem. Int. Ed. Engl. 1984, 23, 631; H. Quast, K. Knoll, E.-M. Peters, K. Peters, H. G. von Schnering, Chem. Ber. 1993, 126, 1047; H. Quast, T. Herkert, A. Witzel, E.-M. Peters, K. Peters, H. G. von Schnering, ibid. 1994, 127, 921.
-
(1994)
Chem. Ber.
, vol.127
, pp. 921
-
-
Quast, H.1
Herkert, T.2
Witzel, A.3
Peters, E.-M.4
Peters, K.5
Von Schnering, H.G.6
-
20
-
-
0000205637
-
-
a) L. Wunsch, F. Metz, H. J. Neusser, E. W. Schlag, J. Chem. Phys. 1976, 66, 386;
-
(1976)
J. Chem. Phys.
, vol.66
, pp. 386
-
-
Wunsch, L.1
Metz, F.2
Neusser, H.J.3
Schlag, E.W.4
-
21
-
-
0000181797
-
-
b) P. Swiderek, G. Hohlneicher, S. A. Maluendes, M. Dupuis, ibid. 1993, 98, 974;
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 974
-
-
Swiderek, P.1
Hohlneicher, G.2
Maluendes, S.A.3
Dupuis, M.4
-
24
-
-
21844483189
-
-
e) S. Zilberg, U. Samuni, R. Fraenkel, Y. Haas, ibid. 1994, 186, 303.
-
(1994)
Chem. Phys.
, vol.186
, pp. 303
-
-
Zilberg, S.1
Samuni, U.2
Fraenkel, R.3
Haas, Y.4
-
25
-
-
0001483170
-
-
E. C. daSilva, J. Gerratt, D. L. Cooper, M. Raimondi, J. Chem. Phys. 1994, 101, 3866.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 3866
-
-
DaSilva, E.C.1
Gerratt, J.2
Cooper, D.L.3
Raimondi, M.4
-
26
-
-
0000703627
-
-
R. B. Woodward, R. Hoffmann, Angew. Chem. 1969, 81, 797; Angew. Chem. Int. Ed. Engl. 1969, 8, 781.
-
(1969)
Angew. Chem.
, vol.81
, pp. 797
-
-
Woodward, R.B.1
Hoffmann, R.2
-
27
-
-
84981778017
-
-
R. B. Woodward, R. Hoffmann, Angew. Chem. 1969, 81, 797; Angew. Chem. Int. Ed. Engl. 1969, 8, 781.
-
(1969)
Angew. Chem. Int. Ed. Engl.
, vol.8
, pp. 781
-
-
-
28
-
-
33751157644
-
-
P. J. Reid, M. K. Lawless, S. D. Wickham, R. A. Mathies, J. Phys. Chem. 1994, 98, 5597.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 5597
-
-
Reid, P.J.1
Lawless, M.K.2
Wickham, S.D.3
Mathies, R.A.4
-
30
-
-
0003764554
-
-
Addison-Wesley, Reading, MA, chap. 10
-
R. P. Feynmann, M. Leighton, M. Sands, The Feynmann Lectures in Physics, Vol. III, Addison-Wesley, Reading, MA, 1965, chap. 10.
-
(1965)
The Feynmann Lectures in Physics
, vol.3
-
-
Feynmann, R.P.1
Leighton, M.2
Sands, M.3
-
32
-
-
0001657212
-
-
For a summary of the experimental data and a review of previous mechanistic interpretations, see M. J. S. Dewar, C. Jie, Tetrahedron 1988, 44, 1351.
-
(1988)
Tetrahedron
, vol.44
, pp. 1351
-
-
Dewar, M.J.S.1
Jie, C.2
-
33
-
-
0001360185
-
-
For a review of previous mechanistic interpretations and a high-level ab initio calculation of the mechanism, see D. A. Hrovat, K. Morokuma, W. T. Borden, J. Am. Chem. Soc. 1994, 116, 1072.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 1072
-
-
Hrovat, D.A.1
Morokuma, K.2
Borden, W.T.3
-
35
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
Gaussian 94, Revision D.4, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
-
(1995)
Gaussian 94, Revision D.4
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
37
-
-
0345692321
-
-
note
-
-1) is 15-20% higher than the frequencies of similar vibrations in the ground state.
-
-
-
-
38
-
-
0040777774
-
-
M. Dohle, J. Manz, G. K. Paramanov, Ber. Bunsen-Ges. Phys. Chem. 1995, 99, 478; M. Dohle, J. Manz, G. K. Paramanov, H. Quast, Chem. Phys. 1995, 197, 91.
-
(1995)
Ber. Bunsen-Ges. Phys. Chem.
, vol.99
, pp. 478
-
-
Dohle, M.1
Manz, J.2
Paramanov, G.K.3
-
39
-
-
21844521497
-
-
M. Dohle, J. Manz, G. K. Paramanov, Ber. Bunsen-Ges. Phys. Chem. 1995, 99, 478; M. Dohle, J. Manz, G. K. Paramanov, H. Quast, Chem. Phys. 1995, 197, 91.
-
(1995)
Chem. Phys.
, vol.197
, pp. 91
-
-
Dohle, M.1
Manz, J.2
Paramanov, G.K.3
Quast, H.4
|