-
1
-
-
0000829913
-
-
ed by S. Patai and Z. Rappoport, John Wiley & Sons Ltd., New York
-
For instance: a) I. Ojima, in "The Chemistry of Organic Silicon Compounds," ed by S. Patai and Z. Rappoport, John Wiley & Sons Ltd., New York (1989), p. 1479 ; b) T. D. Tilley, in "The Chemistry of Organic Silicon Compounds," ed by S. Patai and Z. Rappoport, John Wiley & Sons Ltd., New York (1989), p. 1415.
-
(1989)
"The Chemistry of Organic Silicon Compounds,"
, pp. 1479
-
-
Ojima, I.1
-
2
-
-
0001418043
-
-
ed by S. Patai and Z. Rappoport, John Wiley & Sons Ltd., New York
-
For instance: a) I. Ojima, in "The Chemistry of Organic Silicon Compounds," ed by S. Patai and Z. Rappoport, John Wiley & Sons Ltd., New York (1989), p. 1479 ; b) T. D. Tilley, in "The Chemistry of Organic Silicon Compounds," ed by S. Patai and Z. Rappoport, John Wiley & Sons Ltd., New York (1989), p. 1415.
-
(1989)
"The Chemistry of Organic Silicon Compounds,"
, pp. 1415
-
-
Tilley, T.D.1
-
5
-
-
0000629214
-
-
S. Sakaki, M. Ogawa, Y. Musashi, and T. Arai, Inorg. Chem., 33, 1660 (1994);
-
(1994)
Inorg. Chem.
, vol.33
, pp. 1660
-
-
Sakaki, S.1
Ogawa, M.2
Musashi, Y.3
Arai, T.4
-
6
-
-
0000316188
-
-
S. Sakaki, M. Ogawa, and M. Kinoshita, J. Phys. Chem., 99, 9933 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 9933
-
-
Sakaki, S.1
Ogawa, M.2
Kinoshita, M.3
-
10
-
-
21644442950
-
-
a) K. Kitaura, S. Obara, and K. Morokuma, J. Am. Chem. Soc., 103, 2891 (1981);
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 2891
-
-
Kitaura, K.1
Obara, S.2
Morokuma, K.3
-
16
-
-
84990712053
-
-
b) M. R. A. Blomberg, U. Brandemark, L. Pettersson, and P. E. M. Siegbahn, Int. J. Quantum Chem., 23, 855 (1983);
-
(1983)
Int. J. Quantum Chem.
, vol.23
, pp. 855
-
-
Blomberg, M.R.A.1
Brandemark, U.2
Pettersson, L.3
Siegbahn, P.E.M.4
-
17
-
-
0001499449
-
-
P. E. M. Siegbahn, M. R. A. Blomberg, and M. Svensson, J. Am. Chem. Soc., 115, 4191 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 4191
-
-
Siegbahn, P.E.M.1
Blomberg, M.R.A.2
Svensson, M.3
-
21
-
-
0012757873
-
-
a) E. Folga, T. Ziegler, and L. Fan, New J. Chem., 15, 741 (1991);
-
(1991)
New J. Chem.
, vol.15
, pp. 741
-
-
Folga, E.1
Ziegler, T.2
Fan, L.3
-
23
-
-
0010214299
-
-
T. Ziegler, E. Folga, and A. Berces, J. Am. Chem. Soc., 115, 636 (1993);
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 636
-
-
Ziegler, T.1
Folga, E.2
Berces, A.3
-
24
-
-
0001682725
-
-
J. Li, R. M. Dickson, and T. Ziegler, J. Am. Chem. Soc., 117, 11482 (1995).
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 11482
-
-
Li, J.1
Dickson, R.M.2
Ziegler, T.3
-
26
-
-
0001173217
-
-
b) A. L. Sargent, M. B. Hall, and M. F. Guest, J Am. Chem. Soc., 114, 517 (1992).
-
(1992)
J Am. Chem. Soc.
, vol.114
, pp. 517
-
-
Sargent, A.L.1
Hall, M.B.2
Guest, M.F.3
-
28
-
-
0000496366
-
-
a) M. R. A. Blomberg, P. E. M. Siegbahn, U. Nagashima, and T. Wennerberg, J. Am. Chem. Soc., 113, 424 (1991);
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 424
-
-
Blomberg, M.R.A.1
Siegbahn, P.E.M.2
Nagashima, U.3
Wennerberg, T.4
-
29
-
-
84919308864
-
-
b) M. Svensson, M. R. A. Blomberg, and P. E. M. Siegbahn, J. Am. Chem. Soc., 113, 7076 (1991);
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 7076
-
-
Svensson, M.1
Blomberg, M.R.A.2
Siegbahn, P.E.M.3
-
30
-
-
0000322089
-
-
M. R. A. Blomberg, P. E. M. Siegbahn, and M. Svensson, J. Am. Chem. Soc., 114, 6095 (1992);
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 6095
-
-
Blomberg, M.R.A.1
Siegbahn, P.E.M.2
Svensson, M.3
-
31
-
-
0042254822
-
-
P. E. M. Siegbahn, M. R. A. Blomberg, and M. Svensson, J. Am. Chem. Soc., 115, 1952 (1993);
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 1952
-
-
Siegbahn, P.E.M.1
Blomberg, M.R.A.2
Svensson, M.3
-
32
-
-
0001499449
-
-
e) P. E. M. Siegbahn, M. R. A. Blomberg, and M. Svensson, J. Am. Chem. Soc., 115, 4191 (1993);
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 4191
-
-
Siegbahn, P.E.M.1
Blomberg, M.R.A.2
Svensson, M.3
-
33
-
-
33748586444
-
-
f) M. R. A. Blomberg, P. E. M. Siegbahn, and M. Svensson, J. Phys. Chem., 98, 2062 (1994);
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 2062
-
-
Blomberg, M.R.A.1
Siegbahn, P.E.M.2
Svensson, M.3
-
35
-
-
0024784225
-
-
T. Ziegler, V. Tschinke, L. Fan, and A. D. Becke, J. Am. Chem. Soc., 111, 9177 (1989).
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 9177
-
-
Ziegler, T.1
Tschinke, V.2
Fan, L.3
Becke, A.D.4
-
39
-
-
0000451958
-
-
M. A. Esteruelas, F. J. Lahoz, M. Oliován, E. Oñate, and L. A. Oro, Organometallics, 13, 4246 (1994).
-
(1994)
Organometallics
, vol.13
, pp. 4246
-
-
Esteruelas, M.A.1
Lahoz, F.J.2
Oliován, M.3
Oñate, E.4
Oro, L.A.5
-
40
-
-
0001428769
-
-
B. P. Cleary, R. Mehta, and R. Eisenberg, Organometallics, 14,2297(1995).
-
(1995)
Organometallics
, vol.14
, pp. 2297
-
-
Cleary, B.P.1
Mehta, R.2
Eisenberg, R.3
-
41
-
-
0642285971
-
-
Academic Press, New York
-
G. Herzverg, "Molecular Spectra and Molecular Structure," Academic Press, New York (1974), Vol. 3, p. 267.
-
(1974)
"Molecular Spectra and Molecular Structure,"
, vol.3
, pp. 267
-
-
Herzverg, G.1
-
43
-
-
84987058929
-
-
J. A. Pople, R. Seeger, and R, Krishnan, Int. J. Quantum Chem., Symp., 11, 149(1977).
-
(1977)
Int. J. Quantum Chem., Symp.
, vol.11
, pp. 149
-
-
Pople, J.A.1
Seeger, R.2
Krishnan, R.3
-
46
-
-
0003718311
-
-
Elsevier, Amsterdam
-
a) S. Huzinaga, J. Andzelm, M. Klobukowski, E. Radio-Andzelm, Y. Sakai, and H. Tatewaki, "Gaussian Basis Sets for Molecular Calculations," Elsevier, Amsterdam (1984);
-
(1984)
"Gaussian Basis Sets for Molecular Calculations,"
-
-
Huzinaga, S.1
Andzelm, J.2
Klobukowski, M.3
Radio-Andzelm, E.4
Sakai, Y.5
Tatewaki, H.6
-
47
-
-
84986431101
-
-
b) Y. Sakai, H. Tatewaki, and S. Huzinaga, J. Comput. Chem., 2, 108 (1981).
-
(1981)
J. Comput. Chem.
, vol.2
, pp. 108
-
-
Sakai, Y.1
Tatewaki, H.2
Huzinaga, S.3
-
48
-
-
0003568278
-
-
ed by H. F. Schaeffer, Plenum, New York
-
T. H. Dunning and P. J. Hay. in "Methods of Electronic Structure Theory," ed by H. F. Schaeffer, Plenum, New York (1977), p. 1.
-
(1977)
"Methods of Electronic Structure Theory,"
, pp. 1
-
-
Dunning, T.H.1
Hay, P.J.2
-
49
-
-
0344759013
-
-
d=0.05 tken from the works by Schaefer and co-workers; for instance: G. Vacek, B. T. Colegrove, and H. F. Schaefer, J. Am. Chem. Soc., 113, 3192 (1991); R. S. Grev, H. F. Schaefer, and K. M. Baines, J. Am. Chem. Soc., 112, 9458 (1990).
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 3192
-
-
Vacek, G.1
Colegrove, B.T.2
Schaefer, H.F.3
-
50
-
-
0000097976
-
-
d=0.05 tken from the works by Schaefer and co-workers; for instance: G. Vacek, B. T. Colegrove, and H. F. Schaefer, J. Am. Chem. Soc., 113, 3192 (1991); R. S. Grev, H. F. Schaefer, and K. M. Baines, J. Am. Chem. Soc., 112, 9458 (1990).
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 9458
-
-
Grev, R.S.1
Schaefer, H.F.2
Baines, K.M.3
-
54
-
-
0011069183
-
-
K. E. Frankcombe, K. J. Cavell, B. F. Yates, and R. B. Knott, J. Phys. Chem., 99, 14316 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 14316
-
-
Frankcombe, K.E.1
Cavell, K.J.2
Yates, B.F.3
Knott, R.B.4
-
56
-
-
0000874560
-
-
S. Sakaki, H. Satoh, H. Shono, and Y. Ujino, Organometallics, 15, 1713 (1996).
-
(1996)
Organometallics
, vol.15
, pp. 1713
-
-
Sakaki, S.1
Satoh, H.2
Shono, H.3
Ujino, Y.4
-
57
-
-
2742600895
-
-
note
-
The geometry of TS is intermediate between the reactant and the product. Moreover, one eigenvector with a negative eigenvalue was obtained from diagonalization of the Hessian matrix, and it involves the M-Si, M-H, and Si-H bond distances as its large components. Thus, although the IRC calculation was not carried out due to the large size of reaction system, the geometry of TS seems to be on the way connecting the reactant and the product.
-
-
-
-
59
-
-
33845279063
-
-
and references are therein
-
M. J. Burk, M. P. McGraph, R. Wheeler, and R. H. Crabtree, J. Am. Chem. Soc., 110, 5034 (1988), and references are therein.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5034
-
-
Burk, M.J.1
McGraph, M.P.2
Wheeler, R.3
Crabtree, R.H.4
-
61
-
-
2742595299
-
-
note
-
3 are at a trans to each other in both 3 and IrP1.
-
-
-
-
62
-
-
2742614194
-
-
note
-
π triplet state was calculated with the UHF/BS-II method: A(M-H) and A(M-P) were rather arbitrarily taken to be 1.6 and 2.3 Å respectively;
-
-
-
-
63
-
-
2742593028
-
-
note
-
3 bonds. This is consistent with their population changes (see discussion on the electron redistribution). The reason is still ambiguous and further investigation on the role of s orbital is necessary.
-
-
-
-
64
-
-
2742534985
-
-
private communication.
-
N. Koga, private communication.
-
-
-
Koga, N.1
-
65
-
-
0000383380
-
-
K. Tatsumi, R. Hoffmann, A. Yamamoto, and J. K. Stille, Bull. Chem. Soc. Jpn., 54, 1857 (1981).
-
(1981)
Bull. Chem. Soc. Jpn.
, vol.54
, pp. 1857
-
-
Tatsumi, K.1
Hoffmann, R.2
Yamamoto, A.3
Stille, J.K.4
-
66
-
-
2742564549
-
-
note
-
3 bond energies.
-
-
-
|