RESONANCE RAMAN-SPECTRUM OF THE ALLYL-D(5) RADICAL AND THE FORCE-FIELD ANALYSIS OF THE ALLYL RADICAL

Resonance Raman spectra of the allyl-d5 radical have been obtained wit h excitation between 247 and 223 nm. Analysis of the spectra yields th e first observation of fundamental frequencies, v4, v5, and v7 and ove rtone frequencies 2v9, 2v10, and 2v12. The new vibrational data are co mbined with previously observed frequencies of allyl-h5 and allyl-d5 r adical to produce the force field analysis for the allyl radical. This study suggests reassignment of several previously observed infrared ( IR) bands. Experimental frequencies and assignments for allyl-h5 and a llyl-d5 are compared with results from ab initio calculations. Force c onstants obtained in the present work are compared with the force cons tants of other sp2 hybridization molecules such as benzene, allene, an d ethylene.