Article ID Journal Published Year Pages File Type
5382342 Chemical Physics Letters 2012 16 Pages PDF
Abstract
► Experimental observation of bridged iodoethyl radical. ► Trapping of key intermediate in prototypical electrophilic addition reaction of iodine and ethylene. ► Theory predicts bridged radical is global minimum on the C2H4I potential energy surface. ► MP2 provides a poor description of the potential energy surface due to spin-contamination effects.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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