High-level ab initio studies of hydrogen abstraction from prototype hydrocarbon systems

Berhane Temelso1, C David Sherrill, Ralph C Merkle

  • 1Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.

Summary

Ethynyl radicals efficiently abstract hydrogen atoms from various carbon types, with near-barrierless reactions on diamond surfaces. These findings support their use in mechanosynthesis for hydrogen abstraction.

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