Spectroscopic studies on toluene and some deuterated derivatives. II. Electronic spectra

Abstract

The 266.7 nm absorption systems of toluene and seven deuterated isomers were observed at high resolution and analyses of their vibronic structure performed. All in-plane vibrations with ground-state frequencies less than 1000 cm−1 were identified from 0–1 hot bands. The frequencies agree well with data obtained from infrared and Raman studies. The corresponding vibrations were identified in the excited state. Information was also obtained on out-of-plane vibrations with ground-state frequencies less than 650 cm−1, since all of these are found to give sequence structure. A comparison of the measured data for the various isotopic species has enabled a consistent description of the excited state in toluene to be made. Problems associated with errors, ambiguities, and inconsistencies in previously published work have been addressed.