DFT Studies on the Effect of the Nature of the Aryl Halide Y−C6H4−X on the Mechanism of Its Oxidative Addition to Pd0L versus Pd0L2

作者： King Chung Lam , Todd B. Marder , Zhenyang Lin

关键词: Halide 、 Aryl halide 、 Substituent 、 Mechanism (philosophy) 、 Medicinal chemistry 、 Chemistry 、 Oxidative addition 、 Photochemistry

摘要: The influence of the nature para substituent (Y) and halide (X = Cl, Br, I) an aryl on preferred reaction pathway number ligands bound to Pd during oxidative addition p-Y−C6H4−X Pd(0), which is critical many Pd-catalyzed cross-coupling reactions, has been examined theoretically with aid DFT calculations.

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DFT Studies on the Effect of the Nature of the Aryl Halide Y−C6H4−X on the Mechanism of Its Oxidative Addition to Pd0L versus Pd0L2

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DFT Studies on the Effect of the Nature of the Aryl Halide Y−C6H4−X on the Mechanism of Its Oxidative Addition to Pd0L versus Pd0L2

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