Abstract
The conformation and the hyperfine splitting constants of the acetyl radical CH 3ĊO have been studied through ab initio SCF MO calculations. The radical is found to have an eclipsed conformation with a small rotation barrier of 0.38 kcal/mole. The hyperfine splitting constants are in good agreement with experimental values. The relationship between the proton coupling constant and the dihedral angle is also investigated.
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