Oxidative addition to main group versus transition metals: Insights from the Activation Strain model

G.T. de Jong; R.G.F. Visser; F.M. Bickelhaupt

doi:10.1016/j.jorganchem.2006.03.006

Oxidative addition to main group versus transition metals: Insights from the Activation Strain model

G.T. de Jong
, R.G.F. Visser
, F.M. Bickelhaupt

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

We have studied the oxidative addition of the methane C-H and chloromethane C-Cl bonds to a number of main group (Be, Mg and Ca) and transition metals (Pd, Zn and Cd), using relativistic density functional theory (DFT) at ZORA-BLYP/TZ2P. The purpose is to better understand what causes the characteristic differences in reactivity between main group and transition metals towards oxidative addition. Thus, we have analyzed our model reactions using the Activation Strain model in which the activation energy ΔE

Original language	English
Pages (from-to)	4341-4349
Journal	Journal of Organometallic Chemistry
Volume	691
Issue number	21
DOIs	https://doi.org/10.1016/j.jorganchem.2006.03.006
Publication status	Published - 2006

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SDG 7 Affordable and Clean Energy

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10.1016/j.jorganchem.2006.03.006

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abstract = "We have studied the oxidative addition of the methane C-H and chloromethane C-Cl bonds to a number of main group (Be, Mg and Ca) and transition metals (Pd, Zn and Cd), using relativistic density functional theory (DFT) at ZORA-BLYP/TZ2P. The purpose is to better understand what causes the characteristic differences in reactivity between main group and transition metals towards oxidative addition. Thus, we have analyzed our model reactions using the Activation Strain model in which the activation energy ΔE",

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AU - Visser, R.G.F.

AU - Bickelhaupt, F.M.

PY - 2006

Y1 - 2006

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AB - We have studied the oxidative addition of the methane C-H and chloromethane C-Cl bonds to a number of main group (Be, Mg and Ca) and transition metals (Pd, Zn and Cd), using relativistic density functional theory (DFT) at ZORA-BLYP/TZ2P. The purpose is to better understand what causes the characteristic differences in reactivity between main group and transition metals towards oxidative addition. Thus, we have analyzed our model reactions using the Activation Strain model in which the activation energy ΔE

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DO - 10.1016/j.jorganchem.2006.03.006

M3 - Article

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EP - 4349

JO - Journal of Organometallic Chemistry

JF - Journal of Organometallic Chemistry

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ER -

Oxidative addition to main group versus transition metals: Insights from the Activation Strain model

Abstract

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