Abstract
The vibrational fine structure observed in the first photoelectron bands of the methyl radical and its deuterated species is attributed mainly to excitations of the out-of-plane vibration and are well reproduced by invoking a potential function of the form V(q) = q 2 2 + σ q 4 for the neutral ground state and a harmonic oscillator potential for the ionic state. The results of calculations support the planarity of both the methyl radical and its ion. In addition, the effect of anhannonicity on vibrational energy spacings and transition probabilities due to the presence of the quartic terms is investigated.
Published Version
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