Spectroscopic identification of the p-ethylbenzyl radical in a corona-excited supersonic expansion

Abstract

The excitation spectrum of the jet-cooled p-ethylbenzyl radical was generated from the precursor 1,4-diethylbenzene in a corona-excited supersonic expansion (CESE). Assignment of the p-ethylbenzyl radical was confirmed by comparing the spectra from p-xylene and p-ethyltoluene. The geometry optimization and vibrational frequencies of the p-ethylbenzyl radical were computed with density functional calculation. Conclusive vibronic band assignment was analyzed with a Franck-Condon simulation in the D0 − D1 transition.