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Averaged structural data from unsubstituted zirconocene dialkoxide complexes in the CSD database: JAFYUK, JAQSOJ, JAQSUP, KARKUJ, WEKYOB, XENXIX, YIVWUV, YUWDUP, ZIMXUO, ZIMXUO01
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Averaged structural data from unsubstituted zirconocene dialkoxide complexes in the CSD database: JAFYUK, JAQSOJ, JAQSUP, KARKUJ, WEKYOB, XENXIX, YIVWUV, YUWDUP, ZIMXUO, ZIMXUO01
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59
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69949123579
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note
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2 remains unreacted. However, neither did we observe any remaining precipitate nor did the spectra exhibit resonances of the sparingly soluble dihydride complex. While we did not investigate the fate of the dihydride in detail, coloration of the solution seems to indicate a certain amount of reduction to zirconium(II) species.
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69949181352
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Values determined from 16 comparable complexes in the CSD database with the following ref codes: BEHWAM, CUYHIN, FAZMUO, GERSEC, ICAJUS, IGOCAI, KIHLES, LIFVAX, NETYOA, NETYUG, NIKXEK, NIYXEY, PUXSUW, RAQXEM, UKIBEV, YUVMAD
-
Values determined from 16 comparable complexes in the CSD database with the following ref codes: BEHWAM, CUYHIN, FAZMUO, GERSEC, ICAJUS, IGOCAI, KIHLES, LIFVAX, NETYOA, NETYUG, NIKXEK, NIYXEY, PUXSUW, RAQXEM, UKIBEV, YUVMAD
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72
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69949185034
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Determined from a structural search on Cp and Ind zirconium complexes with unchelated terminal alkyl ligands in the Cambridge Structural Database
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Determined from a structural search on Cp and Ind zirconium complexes with unchelated terminal alkyl ligands in the Cambridge Structural Database.
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73
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0035907948
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0035802160
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In the rare cases where stable zirconocene complexes with β-Hcontaining alkyl substiuents were obtained in the absence of π-donor ligands, their relative stability is attributed to steric crowding of the metal center. Wendt, O. F.; Bercaw, J. E. Organometalics 2001, 20, 3891.
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2 of 147° and 173°, respectively. Howard, W. A.; Trnka, T. M.; Parkin, G. Inorg. Chem. 1995, 34, 5900.
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69949188545
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6 solution gave rise to a new zirconocene species, which contained the two now resolved triplets, shifted to 2.77 and 2.45 ppm, in addition to peaks assigned to inserted isonitrile.
-
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-
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82
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69949153595
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note
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1H NMR and GC-MS analyses showed the formation of l-iodo-2-phenylethane and iodohexane, respectively, in 51% and 90% yield (relative to initial olefin). 1-Iodo-l-phenylethane (expected upon reaction of 13 with iodine) was not identified in the obtained reaction mixtures, although a minor, iodine-containing compound was observed in GC-MS analyses, which showed identical fragmentation patterns and similar retention times to l-iodo-2-phenylethane.
-
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83
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69949173396
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Neither NMR nor GC-MS data allowed a complete assignment of the cis- and trans-isomers for 2- or 3-hexene, respectively.
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