Vibronic emission spectroscopy of benzyl-type radicals: Jet-cooled 2-fluoro-5-chlorobenzyl radical

Spectroscopic evidence of α,α-dichlorobenzyl radical produced by corona discharge of benzotrichloride

“…The 6-311G* basis set was employed for all calculations, and vibrational modes were identified using the HyperChem program. The previous studies [12][13][14] confirmed the discrepancy between the observation and DFT calculations is less than 3% of the observation.…”

“…The same technique was applied to isomeric dichlorobenzyl radicals [8,9] that emit much weaker visible fluorescence, and in these studies the red-shifts of their electronic transition energies were discussed in terms of substitution positions on the benzene ring [10,11]. Recently, several hetero dihalobenzyl radicals [12][13][14] were examined to probe the synergic effects of hetero halo substituents on red-shifts of electronic transition energy and shifts of vibrational mode frequency. Some spectroscopic attempts have been made to characterize substituted ␣-methylbenzyl radicals.…”