-
1
-
-
0033750413
-
-
For two extensive recent reviews of the field see:
-
For two extensive recent reviews of the field see: (a) Ittel, S. D.; Johnson, L. K.; Brookhart, M. Chem. Rev. 2000, 100, 1169.
-
(2000)
Chem. Rev.
, vol.100
, pp. 1169
-
-
Ittel, S.D.1
Johnson, L.K.2
Brookhart, M.3
-
2
-
-
0033557814
-
-
(b) Britovsek, J. B. P.; Gibson, V. C.; Wass, D. F. Angew. Chem., Int. Ed. 1999, 38, 428.
-
(1999)
Angew. Chem., Int.Ed.
, vol.38
, pp. 428
-
-
Britovsek, J.B.P.1
Gibson, V.C.2
Wass, D.F.3
-
3
-
-
6544241298
-
-
(a) Johnson, L. K.; Killian, C. M.; Brookhart, M. J. Am. Chem. Soc. 1995, 117, 6414.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 6414
-
-
Johnson, L.K.1
Killian, C.M.2
Brookhart, M.3
-
4
-
-
0011461174
-
-
[Chem. Abstr. 1996, 125, 222773t]
-
(b) Johnson, L. K.; Killian, C. M.; Arthur, S. D.; Feldman, J.; McCord, E. F.; McLain, S. J.; Kreutzer, K. A.; Bennet, M. A.; Coughlin, E. B.; Ittel, S. D.; Parthasarathy, A.; Tempel, D. J.; Brookhart, M. (DuPont/UNC) World Patent Application 96/23010, 1996 [Chem. Abstr. 1996, 125, 222773t].
-
(1996)
(DuPont/UNC) World Patent Application 96/23010
-
-
Johnson, L.K.1
Killian, C.M.2
Arthur, S.D.3
Feldman, J.4
McCord, E.F.5
McLain, S.J.6
Kreutzer, K.A.7
Bennet, M.A.8
Coughlin, E.B.9
Ittel, S.D.10
Parthasarathy, A.11
Tempel, D.J.12
Brookhart, M.13
-
6
-
-
85012248193
-
-
(d) Wang, L.; Lu, R. S.; Bau, R.; Flood, T. C. J. Am. Chem. Soc. 1993, 115, 6999.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 6999
-
-
Wang, L.1
Lu, R.S.2
Bau, R.3
Flood, T.C.4
-
7
-
-
21844436802
-
-
(e) Britovsek, G. J. P.; Gibson, V. C.; Kimberley, B. S.; Maddox, P. J.; McTavish, S. J.; Solan, G. A.; White, A. J. P.; Williams, D. J. Chem. Commun. 1998, 849.
-
(1998)
Chem. Commun.
, vol.849
-
-
Britovsek, G.J.P.1
Gibson, V.C.2
Kimberley, B.S.3
Maddox, P.J.4
McTavish, S.J.5
Solan, G.A.6
White, A.J.P.7
Williams, D.J.8
-
8
-
-
0032577046
-
-
(f) Small, B. L.; Brookhart, M.; Bennet, A. M. A. J. Am. Chem. Soc. 1998, 120, 4049.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 4049
-
-
Small, B.L.1
Brookhart, M.2
Bennet, A.M.A.3
-
11
-
-
0032506984
-
-
(a) Mecking, S.; Johnson, L. K.; Wang, L.; Brookhart, M. J. Am. Chem. Soc. 1998, 120, 888.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 888
-
-
Mecking, S.1
Johnson, L.K.2
Wang, L.3
Brookhart, M.4
-
12
-
-
0142070493
-
-
(b) Johnson, L. K.; Mecking, S.; Brookhart, M. J. Am. Chem. Soc. 1996, 118, 267.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 267
-
-
Johnson, L.K.1
Mecking, S.2
Brookhart, M.3
-
13
-
-
0001564581
-
-
See for example: Brown, J. M.; Hii, K. K. Angew. Chem., Int. Ed. Engl. 1996, 35, 679.
-
(1996)
Angew. Chem., Int. Ed. Engl.
, vol.35
, pp. 679
-
-
Brown, J.M.1
Hii, K.K.2
-
14
-
-
0000178459
-
-
and references therein
-
Ludwig, M.; Strömberg, S.; Svensson, M.; Akermark, B. Organometallics 1999, 18, 970, and references therein.
-
(1999)
Organometallics
, vol.18
, pp. 970
-
-
Ludwig, M.1
Strömberg, S.2
Svensson, M.3
Akermark, B.4
-
15
-
-
0031549124
-
-
(a) Deng, L.; Woo, T. K.; Cavallo, L.; Margl, P. M.; Ziegler, T. J. Am. Chem. Soc. 1997, 119, 6177.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 6177
-
-
Deng, L.1
Woo, T.K.2
Cavallo, L.3
Margl, P.M.4
Ziegler, T.5
-
16
-
-
0031121278
-
-
(b) Musaev, D. G.; Svensson, M.; Morokuma, S.; Stromberg, S.; Zetterberg, K.; Siegbahn, P. E. M. Organometallics 1997, 16, 1933.
-
(1997)
Organometallics
, vol.16
, pp. 1933
-
-
Musaev, D.G.1
Svensson, M.2
Morokuma, S.3
Stromberg, S.4
Zetterberg, K.5
Siegbahn, P.E.M.6
-
17
-
-
0001111590
-
-
(c) Sieghahn, P. E. M. S.; Stromberg, S.; Zetterberg, K. Organometallics 1996, 15, 5542.
-
(1996)
Organometallics
, vol.15
, pp. 5542
-
-
Sieghahn, P.E.M.S.1
Stromberg, S.2
Zetterberg, K.3
-
18
-
-
33748644478
-
-
(d) Stromberg, S.; Zetterberg, K.; Sieghahn, P. E. M. J. Chem. Soc., Dalton Trans. 1997, 4147.
-
(1997)
J. Chem. Soc., Dalton Trans.
, pp. 4147
-
-
Stromberg, S.1
Zetterberg, K.2
Sieghahn, P.E.M.3
-
20
-
-
33751157732
-
-
Stevens, P. J.; Devlin, F. J.; Chahlowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stevens, P.J.1
Devlin, F.J.2
Chahlowski, C.F.3
Frisch, M.J.4
-
21
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. H.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A. Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petterson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stevano, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogia, E. S.; Pople, J. A. Gaussian98, Revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian98, Revision A.7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.H.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petterson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stevano, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogia, E.S.57
Pople, J.A.58
more..
-
27
-
-
26844534384
-
-
(b) Krishnan, R.; Binkley, R. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, R.S.2
Seeger, R.3
Pople, J.A.4
-
28
-
-
0011501571
-
-
For details about the basis set of palladium, see the Supporting Information.
-
-
-
-
29
-
-
84986492477
-
-
Besler, B. H.; Merz, K. M. Jr.; Kollman, P. A. J. Comput. Chem. 1990, 11, 431.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 431
-
-
Besler, B.H.1
Merz K.M., Jr.2
Kollman, P.A.3
-
30
-
-
85087583304
-
-
3), see ref 3a.
-
-
-
-
31
-
-
0003598092
-
-
note; Applied Science Publishers Ltd: London, U.K.
-
3]- are very similar. Hartly, F. R. The Chemistry of Platinum and Palladium; Applied Science Publishers Ltd: London, U.K., 1973; p 377.
-
(1973)
The Chemistry of Platinum and Palladium
, pp. 377
-
-
Hartly, F.R.1
-
32
-
-
0011456979
-
-
note; Unpublished results
-
In a theoretical study of the insertion of propene into the Pd-Ph bond for a series of different types of diimine ligands, steric factors dominate the regioselectivity. von Schenck, H.; Svensson, M. Unpublished results.
-
-
-
Von Schenck, H.1
Svensson, M.2
-
33
-
-
0001182106
-
-
Strömberg, S.; Svensson, M.; Zetterberg, K. Organometallics 1997, 16, 3165.
-
(1997)
Organometallics
, vol.16
, pp. 3165
-
-
Strömberg, S.1
Svensson, M.2
Zetterberg, K.3
-
34
-
-
0011459441
-
-
note
-
The LUMO of both 1a and 1b is in essence a π* MO located on the diimine ligand. The LUMO+1, involved in the binding with the alkenes, is a 5s4d-hybrid centered on the metal.
-
-
-
-
35
-
-
0000106590
-
-
note
-
3. allylpalladium. (a) Stromberg, S.; Oksman, M.; Zhang, L.; Zetterberg, K. Acta Chem. Scand. 1995, 49, 689.
-
(1995)
Acta Chem. Scand.
, vol.49
, pp. 689
-
-
Stromberg, S.1
Oksman, M.2
Zhang, L.3
Zetterberg, K.4
-
36
-
-
0011501572
-
-
(b) De Felice, V.; Cucciolito, M. E.; De Renzi, A.; Ruffo, F.; Tesauro, D. J. J. Organomet. Chem. 1995, 493, 269.
-
(1995)
J. Organomet. Chem.
, vol.493
, pp. 269
-
-
De Felice, V.1
Cucciolito, M.E.2
De Renzi, A.3
Ruffo, F.4
Tesauro, D.J.5
-
37
-
-
0029659156
-
-
note
-
3-benzylpalladium. (c) Rix, F. C.; Brookhart, M.; White, P. S. J. Am. Chem. Soc. 1996, 118, 2436.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 2436
-
-
Rix, F.C.1
Brookhart, M.2
White, P.S.3
-
38
-
-
85087584376
-
-
note
-
3 0.51.
-
-
-
|