On the Mechanism for the Reaction of Fluoroformyl Radicals Radicals With NO: A Theoretical Study
Document Type
Article
Publication Date
4-16-1999
Description
The key features of the potential energy surface of the reaction between fluoroformyl radicals (FCO) radical with NO have been determined using ab initio molecular orbital theory. Instead of direct abstraction of fluorine from FCO by NO to yield FNO and CO, the reaction is found to instead add NO to FCO to form a FC(O)NO adduct first. FNO and CO can be produced with a lower activation barrier from FC(O)NO via a three-center transition state.
Citation Information
Liu, Ruifeng; and Francisco, Joseph S.. 1999. On the Mechanism for the Reaction of Fluoroformyl Radicals Radicals With NO: A Theoretical Study. Chemical Physics Letters. Vol.303(5-6). 664-670. https://doi.org/10.1016/S0009-2614(99)00165-7 ISSN: 0009-2614