Gas-phase Models for Catalysis: Alkane Activation and Olefin Epoxidation by the Triatomic Cation Ag2O+

Abstract

Reaction of ethylene with AgO+ can be viewed as a minimalistic model for the industrial epoxidation of ethylene on a silver catalyst.

Keywords

• alkane activation
• DFT calculations
• hydrogen abstraction
• epoxidation
• gas phase
• mass spectrometry