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(c) The actual reaction conditions for the selective trimerization of ethylene to 1-hexene are: 30 °C, ethylene pressure 5 bar, toluene as solvent
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0347017872
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(d) The products of olefin trimerization are formed in 97% selectivity, comprising 83% 1-hexene and 14% 1-hexene/ethylene cooligomers.
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TURBOMOLE basis set library.
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0345756686
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note
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5-Cp-Ti moiety will be discussed in the following sections.
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note
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6 process to the right.
-
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55
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0345756684
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note
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(a) The smaller thermodynamic force connected with the formation of 9C can be rationalized from the fact that the nine-membered ring represents the least favorable medium-sized ring.
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56
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0004226985
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57
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0345756685
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note
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For the process to commence from different titana(IV)cycle precursors, only one of the two alternative reaction paths has been able to be characterized computationally (cf. ref 15).
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-
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58
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0346387854
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note
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IV-alkenyl-hydrido intermediate.
-
-
-
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59
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0347648569
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note
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10-co-trimer products, with 5-methylnon-1-ene in particular, are formed as minor products as well, which, however, are not considered in the present study (cf. ref 13d).
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-
-
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61
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0347017870
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note
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This could be accomplished by the retardation of the β-H transfer and/or acceleration of the metallacycle growth, e.g., by increasing the ethylene pressure.
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