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96
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0011652847
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note
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Structural details of the important species for the BP96 and B3LYP methods are given in the Supporting Information.
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97
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0011529169
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note; In preparation
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2-olefin) (R = alkyl, Cl) along with theoretical studies of these systems will be reported separately: Urtel, H.; Meier, C.; Rominger, F.; Hofmann, P. In preparation.
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Urtel, H.1
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0003319977
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note
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2, isolelectronic chelating systems with two strong π-acceptros, also have been found not to adopt a square-planar ground state structure in matrix isolation studies and in quantum chemical calculations, respectively: (a) Whittlesey, M. K.; Perutz, R. N.; Virrels, I. G.; George, M. W. Organometallics 1997, 16, 268.
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101
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0029953390
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note
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+ also resemble trigonal bipyramids with an empty equatorial site: (d) Ogasawara, M.; Macgregor, S. A.; Streib, W. E.; Folting, K.; Eisenstein, O.; Caulton, K. G. J. Am. Chem. Soc. 1996, 118, 10189.
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104
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0011594095
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2Cl plane. Olefins with acceptor substituents still prefer to coordinate in the "bent-up" fashion, even with a Cl π-donor co-ligand: Hofmann, P.; Urtel, H.; Meier, C.; Rominger, F. In preparation.
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Hofmann, P.1
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References 7f and 15c
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References 7f and 15c.
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117
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0011591364
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note; Unpublished results
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-1) compared to the bis-carbene species: Urtel, H.; Hofmann, P. Unpublished results.
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Urtel, H.1
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0011595584
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Grotjahn, D. B.; Collins, L. S. B.; Wolpert, M.; Bikzhanova, G. A.; Lo, H. C.; Combs, D.; Hubbard, J. L. Manuscript in preparation.
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