Cyanobenzyl and chlorobenzyl radicals via anion photoelectron imaging spectroscopy

Andrew R. Dixon, Dmitry Khuseynov, Andrei Sanov

Research output: Contribution to journalArticle

Abstract

We report the adiabatic electron affinity of the cyanobenzyl radical, EA(PhCHCN) = 1.90 ± 0.01 eV, determined from a combination of the experiment and theory, and assign an upper limit of the EA for the chlorobenzyl radical, EA(PhCHCl) ≤ 1.12 eV. From these results, the C-H bond dissociation energies at the benzyl-α sites of the corresponding closed-shell parent molecules are determined: 80.9 ± 2.3 kcal mol-1 for benzyl nitrile and an upper limit of 84.2 kcal mol-1 for benzyl chloride. These results are discussed in terms of substituent interactions and in relation to other similar molecules.

Original languageEnglish (US)
Pages (from-to)72-77
Number of pages6
JournalChemical Physics Letters
Volume614
DOIs
StatePublished - Oct 20 2014

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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