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| - Internal Rotational Motion of the Chloromethyl Group of the Jet-Cooled Benzyl ChlorideMolecule
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| - The mass-resolved resonance enhanced two-photon ionization spectra of jet-cooled benzyl chloride weremeasured. Some low-frequency vibronic bands around the S1−S0 origin band were assigned to transitions ofthe internal rotational mode of the chloromethyl group. The internal rotational motion was analyzed by usingthe one-dimensional free rotor approximation. The conformation in the S1 state was found to be that in whichthe C−Cl bond lies in orthogonal to the benzene plane. For the species with m/e 126, the transition energyof the internal rotational bands corresponded well to the potential energy values of V2 = 1900 cm-1 and V4= 30 cm-1 in the S1 state and the reduced rotational constant B values 0.50 and 0.47 cm-1 in the S0 and S1states, respectively. The B values obtained for the chlorine isotopomer (m/e 128) were slightly different. TheS1 potential barrier height was found to be about 3 times larger than that for the S0 state. Molecular orbitalcalculations suggest that the difference between energies of the HOMO and LUMO with respect to the rotationof the chloromethyl group correspond approximately to the potential energy curve obtained for the S1 state.
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