-
2
-
-
1842388237
-
-
note
-
1 so they are not necessarily consecutive.
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3
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0007939447
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Haynes, A.; Poliakoff, M.; Turner, J. J.: Bender, B. R.; Norton, J. R. J. Organomet. Chem. 1990, 383, 497-519.
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0025358490
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Grevels, F.-W.; Klotzbücher, W. E.; Seils, F.: Schaffner, K.; Takats, J. J. Am. Chem. Soc. 1990, 112, 1995-1996.
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Grevels, F.-W.1
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Takats, J.5
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5
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0000038331
-
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Olefin ligands in four-and six-coordinate mononuclear complexes usually rotate easily about the metal - olefin bond: (a) Alt, H.; Herberhold, M.; Kreiter. C. G.; Strack, H. J. Organomet. Chem. 1974, 77, 353. (b) Segal, J. A.; Johnson, B. F. G. J. Chem. Soc., Dalton Trans. 1975, 677. (c) Albright, T. A.; Hoffmann, R.; Thibeault, J. C.; Thorn, D. L. J. Am. Chem. Soc. 1979, 101, 3801. (d) Mann, B. E. Non-rigidity in Organometallic Compounds. In Comprehensive Organometallic Chemistry; Wilkinson, G., Ed.; Pergamon: Oxford, 1982; Vol. 3, Chapter 20. The osmiums in 4 are effectively six-coordinate.
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Alt, H.1
Herberhold, M.2
Kreiter, C.G.3
Strack, H.4
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6
-
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37049119559
-
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Olefin ligands in four-and six-coordinate mononuclear complexes usually rotate easily about the metal - olefin bond: (a) Alt, H.; Herberhold, M.; Kreiter. C. G.; Strack, H. J. Organomet. Chem. 1974, 77, 353. (b) Segal, J. A.; Johnson, B. F. G. J. Chem. Soc., Dalton Trans. 1975, 677. (c) Albright, T. A.; Hoffmann, R.; Thibeault, J. C.; Thorn, D. L. J. Am. Chem. Soc. 1979, 101, 3801. (d) Mann, B. E. Non-rigidity in Organometallic Compounds. In Comprehensive Organometallic Chemistry; Wilkinson, G., Ed.; Pergamon: Oxford, 1982; Vol. 3, Chapter 20. The osmiums in 4 are effectively six-coordinate.
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Segal, J.A.1
Johnson, B.F.G.2
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7
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0040929108
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Olefin ligands in four-and six-coordinate mononuclear complexes usually rotate easily about the metal - olefin bond: (a) Alt, H.; Herberhold, M.; Kreiter. C. G.; Strack, H. J. Organomet. Chem. 1974, 77, 353. (b) Segal, J. A.; Johnson, B. F. G. J. Chem. Soc., Dalton Trans. 1975, 677. (c) Albright, T. A.; Hoffmann, R.; Thibeault, J. C.; Thorn, D. L. J. Am. Chem. Soc. 1979, 101, 3801. (d) Mann, B. E. Non-rigidity in Organometallic Compounds. In Comprehensive Organometallic Chemistry; Wilkinson, G., Ed.; Pergamon: Oxford, 1982; Vol. 3, Chapter 20. The osmiums in 4 are effectively six-coordinate.
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Albright, T.A.1
Hoffmann, R.2
Thibeault, J.C.3
Thorn, D.L.4
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8
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84942751414
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Non-rigidity in Organometallic Compounds
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Wilkinson, G., Ed.; Pergamon: Oxford, Chapter 20. The osmiums in 4 are effectively six-coordinate
-
Olefin ligands in four-and six-coordinate mononuclear complexes usually rotate easily about the metal - olefin bond: (a) Alt, H.; Herberhold, M.; Kreiter. C. G.; Strack, H. J. Organomet. Chem. 1974, 77, 353. (b) Segal, J. A.; Johnson, B. F. G. J. Chem. Soc., Dalton Trans. 1975, 677. (c) Albright, T. A.; Hoffmann, R.; Thibeault, J. C.; Thorn, D. L. J. Am. Chem. Soc. 1979, 101, 3801. (d) Mann, B. E. Non-rigidity in Organometallic Compounds. In Comprehensive Organometallic Chemistry; Wilkinson, G., Ed.; Pergamon: Oxford, 1982; Vol. 3, Chapter 20. The osmiums in 4 are effectively six-coordinate.
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Mann, B.E.1
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9
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28444475472
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Mononuclear complexes of propene are typically more stable than those of trans-2-butene on both electronic and steric grounds: Hartley, F. R. Chem. Rev. 1973, 73, 163-190.
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33947189268
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(a) Johnson, B. F. G.; Lewis, J.; Pippard, D. A. J. Chem. Soc., Dalton Trans. 1981, 407.
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Johnson, B.F.G.1
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13
-
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1842264833
-
-
note
-
13C is that of the trans carbonyl.
-
-
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18
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0040487023
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(a) Burn, M. J.; Kiel, G.-Y.; Seils, F.; Takats, J.; Washington, J. J. Am. Chem. Soc. 1989, 111, 6850-6852.
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23
-
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1842345601
-
-
note
-
17 Differential steric energy contributions, expressed as "δ" in Tables 3 and 4, were obtained by subtracting the molecular mechanics energies of the ethylene analogs from those of the substituted species. δ values are a measure of steric interactions relative to the ethylene case. The relative energies in Tables 3 and 4 were obtained by adding the δ values to the ab initio energies of 1, 12, and 4.
-
-
-
-
24
-
-
0000461261
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Anderson, O. P.; Bender, B. R.; Norton, J. R.; Larson, A. C.; Vergamini, P. J. Organometallics 1991, 10, 3145.
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Anderson, O.P.1
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Vergamini, P.J.5
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9144240095
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Mayo, S. L.; Olafson, B. D.; Goddard, W. A. J. Phys. Chem. 1990, 94, 8897.
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0542380655
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Bender, B. R.; Bertoncello, R.; Burke, M. R.; Casarin, M.; Granozzi, G.; Norton, J. R.; Takats, J. Organometallics 1989, 8, 1777.
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Bender, B.R.1
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Takats, J.7
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29
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1842322617
-
-
note
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4.
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30
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0004233459
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Buncel, E., Lee, E., Eds.; Elsevier: New York, Chapter 3
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Gajewski, J. J. Isotopes in Organic Chemistry; Buncel, E., Lee, E., Eds.; Elsevier: New York, 1987; Vol. 7; Chapter 3, p 121.
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Gajewski, J.J.1
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31
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37049074699
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Anson, C. E.; Johnson, B. F. G.; Lewis, J.; Powell, D. B.; Sheppard, N.; Bhattacharyya, A. K.; Bender, B. R.; Bullock, R. M.; Hembre, R. T.; Norton, J. R. J. Chem. Soc., Chem. Commun. 1989, 703.
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Anson, C.E.1
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Bhattacharyya, A.K.6
Bender, B.R.7
Bullock, R.M.8
Hembre, R.T.9
Norton, J.R.10
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34
-
-
1842281437
-
-
note
-
D would give a less precise KIE.
-
-
-
-
35
-
-
1842271691
-
-
note
-
We note that the KIE measured by Thornton for eq 16 would be slightly greater at the lower temperature of 39°C.
-
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37
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0001474574
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Storer, J. W.; Raimondi, L.; Houk, K. N. J. Am. Chem. Soc. 1994, 116, 9675.
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0000208908
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Bender, B. R.; Norton, J. R.; Miller, M. M.; Anderson, O. P.; Rappé, A. K. Organometallics 1992, 11, 3427.
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Bender, B.R.1
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41
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0000092893
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Anson, C. E.; Sheppard, N.; Powell, D. B.; Bender, B. R.; Norton, J. R. J. Chem. Soc. Faraday Trans 1994, 90, 1449.
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42
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1842395039
-
-
note
-
The out-of-plane twisting/tilting mode that becomes a rotational mode when ethylene dissociates from 1 (see ref 24) is preserved during the formation of 4 from 1 ("bridge opening"). Thus the large normal isotope effect calculated for ethylene dissociation from 1 is replaced by an inverse one calculated for isomerization to 4.
-
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43
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0001037944
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3], have been reported several times (see ref 31). The most complete and reliable assignments have been obtained by inelastic neutron scattering: Jobic, H. J. Mol. Struct. 1985, 131, 167.
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Biograf was obtained from the BioDesign subsidiary of Molecular Simulations, Inc., 199 S. Los Robles Ave., Suite 540, Pasadena, CA 91101
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Biograf was obtained from the BioDesign subsidiary of Molecular Simulations, Inc., 199 S. Los Robles Ave., Suite 540, Pasadena, CA 91101.
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