-
1
-
-
0842347688
-
Basic Aspects of Organic Synthesis with Transition Metals
-
ed by M. Beller and C. Bolm, Wiley-VCH
-
B. M. Trost, "Basic Aspects of Organic Synthesis with Transition Metals," in "Transition Metals for Organic Synthesis," ed by M. Beller and C. Bolm, Wiley-VCH (1998).
-
(1998)
Transition Metals for Organic Synthesis
-
-
Trost, B.M.1
-
3
-
-
84873055189
-
-
Wiley-Interscience Publication, New York
-
b) W. J. Hehre, L. Radom, P. R. Schleyer, and J. A. Pople, "Ab Initio Molecular Orbital Theory," Wiley-Interscience Publication, New York (1986).
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.R.3
Pople, J.A.4
-
6
-
-
0036571257
-
-
b) R. J. Van Haaren, J. N. H. Reek, H. Oevering, B. B. Coussens, G. P. F. van Strijdonck, P. C. J. Kamer, and P. W. N. M. van Leeuwen, J. Chem. Educ., 79, 588 (2002).
-
(2002)
J. Chem. Educ.
, vol.79
, pp. 588
-
-
Van Haaren, R.J.1
Reek, J.N.H.2
Oevering, H.3
Coussens, B.B.4
Van Strijdonck, G.P.F.5
Kamer, P.C.J.6
Van Leeuwen, P.W.N.M.7
-
11
-
-
0010811366
-
-
J. L. Peterson, L. F. Dahl, and J. M. Williams, J. Am. Chem. Soc., 96, 6610 (1974).
-
(1974)
J. Am. Chem. Soc.
, vol.96
, pp. 6610
-
-
Peterson, J.L.1
Dahl, L.F.2
Williams, J.M.3
-
12
-
-
0642304211
-
-
2 (3.090 Å). i) R. D. Adams, D. M. Collins, and F. A. Cotton, Inorg. Chem., 13, 1086 (1974).
-
(1974)
Inorg. Chem.
, vol.13
, pp. 1086
-
-
Adams, R.D.1
Collins, D.M.2
Cotton, F.A.3
-
14
-
-
0000345672
-
-
iii) L. B. Handy, J. K. Ruff, and L. F. Dahl, J. Chem. Phys., 92, 7312 (1970).
-
(1970)
J. Chem. Phys.
, vol.92
, pp. 7312
-
-
Handy, L.B.1
Ruff, J.K.2
Dahl, L.F.3
-
16
-
-
37049115198
-
-
v) R. H. B. Mais, P. G. Owston, and D. T. Thompson, J. Chem. Soc. A, 1967, 1735.
-
J. Chem. Soc. A
, vol.1967
, pp. 1735
-
-
Mais, R.H.B.1
Owston, P.G.2
Thompson, D.T.3
-
18
-
-
0000151326
-
-
J. E., Davies, M. J. Mays, P. R. Raithby, G. P. Shields, and P. K. Tompkin, Chem. Comoun., 1997, 361.
-
Chem. Comoun.
, vol.1997
, pp. 361
-
-
Davies, J.E.1
Mays, M.J.2
Raithby, P.R.3
Shields, G.P.4
Tompkin, P.K.5
-
19
-
-
51149205163
-
-
K. Henrick, M. McPartlin, A. D. Horton, and M. J. Mays, J. Chem. Soc., Dalton Trans., 1988, 1083.
-
J. Chem. Soc., Dalton Trans.
, vol.1988
, pp. 1083
-
-
Henrick, K.1
McPartlin, M.2
Horton, A.D.3
Mays, M.J.4
-
20
-
-
0003487210
-
-
University Science Books, Mill Valley, CA, Chap. 3
-
For Effective Atomic Number rule, see: P. Collman, L. S. Hegedus, J. R. Norton, and R. G. R. Finke, "Principles and Applications of Organotransition Metal Chemistry," University Science Books, Mill Valley, CA (1987), Chap. 3.
-
(1987)
Principles and Applications of Organotransition Metal Chemistry
-
-
Collman, P.1
Hegedus, L.S.2
Norton, J.R.3
Finke, R.G.R.4
-
23
-
-
0035857250
-
-
N. A. Richardson, Y. Xie, R. B. King, and H. F. Schaefer III, J. Phys. Chem. A, 105, 11134 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 11134
-
-
Richardson, N.A.1
Xie, Y.2
King, R.B.3
Schaefer III, H.F.4
-
24
-
-
0033592908
-
-
a) J. E. Davis, M. J. Mays, P. R. Raithby, and A. D. Woods, Chem. Commun., 1999, 2455.
-
Chem. Commun.
, vol.1999
, pp. 2455
-
-
Davis, J.E.1
Mays, M.J.2
Raithby, P.R.3
Woods, A.D.4
-
25
-
-
0033612016
-
-
b) M. E. Carcia, V. Riera, M. T. Rueda, and M. A. Ruiz, J. Am. Chem. Soc., 121, 4060 (1999).
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 4060
-
-
Carcia, M.E.1
Riera, V.2
Rueda, M.T.3
Ruiz, M.A.4
-
26
-
-
0002135331
-
-
c) J. E. Davis, N. Feeder, C. A. Gray, M. J. Mays, and A. D. Woods, J. Chem. Soc., Dalton Trans., 2000, 1695.
-
J. Chem. Soc., Dalton Trans.
, vol.2000
, pp. 1695
-
-
Davis, J.E.1
Feeder, N.2
Gray, C.A.3
Mays, M.J.4
Woods, A.D.5
-
27
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
"Gaussian 98, Revision A. II," M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA (2001).
-
(2001)
Gaussian 98, Revision A. II
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.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
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Salvador, P.30
Dannenberg, J.J.31
Malick, D.K.32
Rabuck, A.D.33
Raghavachari, K.34
Foresman, J.B.35
Cioslowski, J.36
Ortiz, J.V.37
Baboul, A.G.38
Stefanov, B.B.39
Liu, G.40
Liashenko, A.41
Piskorz, P.42
Komaromi, I.43
Gomperts, R.44
Martin, R.L.45
Fox, D.J.46
Keith, T.47
Al-Laham, M.A.48
Peng, C.Y.49
Nanayakkara, A.50
Challacombe, M.51
Gill, P.M.W.52
Johnson, B.53
Chen, W.54
Wong, M.W.55
Andres, J.L.56
Gonzalez, C.57
Head-Gordon, M.58
Replogle, E.S.59
Pople, J.A.60
more..
-
31
-
-
0345491105
-
-
a) C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B: Condens. Matter, 37, 785 (1988).
-
(1988)
Phys. Rev. B: Condens. Matter
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
32
-
-
0038596731
-
-
b) B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett., 157, 200 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
39
-
-
0003915529
-
-
Theoretical Chemistry Institute, University of Wisconsin, Madison
-
E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, and F. Weinhold, "NBO 5.0," Theoretical Chemistry Institute, University of Wisconsin, Madison (2001).
-
(2001)
NBO 5.0
-
-
Glendening, E.D.1
Badenhoop, J.K.2
Reed, A.E.3
Carpenter, J.E.4
Bohmann, J.A.5
Morales, C.M.6
Weinhold, F.7
-
40
-
-
0642304211
-
-
R. D. Adams, D. M. Collins, and F. A. Cotton, Inorg. Chem., 13, 1086 (1974).
-
(1974)
Inorg. Chem.
, vol.13
, pp. 1086
-
-
Adams, R.D.1
Collins, D.M.2
Cotton, F.A.3
-
41
-
-
0038211745
-
-
i (i) H. Hartung, B. Walther, U. Baumeister, H. C. Böttcher, A. Krug, F. Rosche, and P. G. Jones, Polyhedron, 11, 1563 (1992). Mo(1)-Mo(2): 3.185(1) Å.
-
(1992)
Polyhedron
, vol.11
, pp. 1563
-
-
Hartung, H.1
Walther, B.2
Baumeister, U.3
Böttcher, H.C.4
Krug, A.5
Rosche, F.6
Jones, P.G.7
-
42
-
-
0842347686
-
-
note
-
The orbital energies (kcal/mol) of [LUMO], [HOMO], [HOMO-1], [HOMO-2], [HOMO-3] of 1: 82.120, -129.090, -133.371, -142.770, -143.476, respectively; the orbital energies (kcal/mol) of [LUMO], [HOMO], [HOMO-1], [HOMO-2], [HOMO-3] of 4: 12.550, -36.438, -45.432, -45.710, -54.901, respectively.
-
-
-
-
51
-
-
0035857250
-
-
N. A. Richardson, Y. Xie, R. B. King, and H. F. Schaefer III, J. Phys. Chem. A, 105, 11134 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 11134
-
-
Richardson, N.A.1
Xie, Y.2
King, R.B.3
Schaefer III, H.F.4
-
52
-
-
0001727661
-
-
C. Mealli, A. Ienco, A. Galindo, and E. P. Carreño, Inorg. Chem., 38, 4620 (1999).
-
(1999)
Inorg. Chem.
, vol.38
, pp. 4620
-
-
Mealli, C.1
Ienco, A.2
Galindo, A.3
Carreño, E.P.4
|