Bi resembles transition metal: The ability of hypervalent coordination of the Bi(III) center and the high polarity of the Bi−Ph bond enable the heavier main group element to resemble the transition metal having flexibility for ligand assoc...
Artikel
Weak Electrostatic Interactions with Bisphosphine Ligands Facilitate Reductive Elimination of PhCF3 from Pd(II) Complexes
Von Wiley-VCH zur Verfügung gestellt
Energy decomposition analysis reveals that weak electrostatic interactions between bisphosphine ligands and Ph−Pd−CF3 result in high reactivity of PhCF3 reductive elimination from Pd(II) complexes.
Abstract
The origins of ligand effects on PhCF3 reductive elimination from PdII complexes were computationally investigated by using energy decomposition analysis. The results indicate weak electrostatic interactions between ligands and Ph−Pd−CF3 lead to small barriers of PhCF3 reductive elimination. Two major factors affecting the electrostatic interactions are identified.
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