Abstract
The high-resolution gas-phase 269 nm absorption spectrum of benzyl chloride in the 0-0 region is reported. A long sequence on the high wavenumber side of the 0-0 band, assigned to the torsional mode, points to an internal rotation barrier larger in the excited state than in the ground state. This can be explained by a stronger interaction between the π-electron system and the chlorine atom. Ab initio calculations at the 6-31G level yield an S 0 CH 2Cl torsional barrier of 11.1 kJ mol −1 in benzyl chloride. A barrier of 22.6 kJ mol −1 is estimated in S 1 from the gas-phase absorption spectrum.
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