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70349633119
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note
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Pr is more stable than its iso-alkyl isomer (an analogue of 13+pyridine) due to the bulkiness of the ligand 1a and of the lutidine.
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70349619920
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note
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Additionally, we found that Pd complexes bearing alkylphosphine-sulfonate ligands are also effective catalysts for the production of highly linear polyethylene. See Supporting Information.
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33
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20944446760
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Although cis/trans isomerization reactions of a series of Pd phosphine-sulfonate complexes were proposed by Ziegler et al. in reference 15 the structures of the TSs were not fully reported. See also: (a)
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Although cis/trans isomerization reactions of a series of Pd phosphine-sulfonate complexes were proposed by Ziegler et al. in reference 15 the structures of the TSs were not fully reported. See also: (a) Haras, A.; Michalak, A.; Rieger, B.; Ziegler, T. J. Am. Chem. Soc. 2005, 127, 8765-8774.
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0012927853
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For some examples of the studies on cis/trans isomerization reactions of square-planar Pd complexes, see: (a)
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0034228416
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Similar results were obtained in the case of other olefin polymerization catalysts bearing unsymmetric bidentate ligands. For example,(a)
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70349610571
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(c) See also references 15, 22a,b, and 24a.
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44
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70349626292
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note
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More detailed analysis on ethylene insertion regarding the nature of the unsymmetric character of this ligand is described in Supporting Information.
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45
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70349633118
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note
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Relative electronic energy of TS(8′-9′) is lower than that of 9′. This indicates the existence of another lower-energy intermediate before 9′. By IRC calculation from TS(8′-9′), an intermediates which can be recognized as "9′ + pyridine" was obtained. In fact, the relative electronic energy of "9′ + pyridine" was lower than that of 9′; however, the Gibbs free energy was higher than that of 9′.
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