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Updated: Jun 21, 2026

Preparation and Characterization of C60/Graphene Hybrid Nanostructures
Published on: May 15, 2018
Reaction of [60]fullerene with trans-epoxides: a theoretical study
Guan-Wu Wang1, Ping Wu, Hai-Tao Yang
1Hefei National Laboratory for Physical Sciences at Microscale and Department of Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China. gwang@ustc.edu.cn
Abstract:
The experimental results of the reaction of C60 with carbonyl ylides generated from trans-epoxides, which afforded cis-products exclusively or predominantly, can be explained well by computational investigation of the proposed reaction mechanism. Our theoretical calculations demonstrate that only cis-carbonyl ylides can be formed directly from trans-epoxides, in compliance with the Woodward-Hoffmann rule. Importantly, the ring opening of trans-epoxides, which is the rate-determining step, should be included in the whole reaction profiles to explain all experimental phenomena.
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