American Chemical Society
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Understanding the Relative Easiness of Oxidative Addition of Aryl and Alkyl Halides to Palladium(0)

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journal contribution
posted on 2006-07-31, 00:00 authored by Alireza Ariafard, Zhenyang Lin
Density functional theory calculations were carried out to study the relative easiness of oxidative addition of aryl and alkyl halides to Pd(0). Kinetic but not thermodynamic factors were found to contribute to the better reactivity of aryl versus alkyl halides.