A New Pathway for Activation of C–C and C–H Bonds by Transition Metals in the Gas Phase

Dongju Zhang; Ruoxi Wang; Rongxiu Zhu

doi:10.1071/CH04154

RESEARCH ARTICLE

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A New Pathway for Activation of C–C and C–H Bonds by Transition Metals in the Gas Phase

Dongju Zhang ^A ^B , Ruoxi Wang ^A and Rongxiu Zhu ^A

+ Author Affiliations

- Author Affiliations

^A College of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China.

^B Corresponding author. Email: zhangdj@sdu.edu.cn

Australian Journal of Chemistry 58(2) 82-85 https://doi.org/10.1071/CH04154
Submitted: 18 June 2004 Accepted: 1 January 2005 Published: 21 February 2005

Abstract

C–H and C–C bond activation of hydrocarbons at metal centres are of fundamental importance in biochemistry, organometallic chemistry, and catalysis. The present work aims to search for novel mechanisms for activation of C–C and C–H bonds by transition metals in the gas phase. Using high-level density functional calculations, we systemically studied the reactions of Ti⁺, V⁺, and Fe⁺ with ethane, and proposed new pathways of C–C and C–H bond activation—concerted activation of C–C and C–H bonds, and 1,2-H₂ elimination. These two pathways clearly differ from the general addition–elimination mechanism.

Acknowledgments

This work was jointly supported by the National Science Foundation of China under Grants 20473047 and 20073024, and the Natural Science Foundation of Shandong Province under Grant Y2002B02.

References

A New Pathway for Activation of C–C and C–H Bonds by Transition Metals in the Gas Phase

Abstract

Acknowledgments

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