Local mode and normal mode interpretations of the CH and CD stretching vibrational manifolds of 1,1-dideuteroethene
Duncan, J. L. and Mills, I. (1988) Local mode and normal mode interpretations of the CH and CD stretching vibrational manifolds of 1,1-dideuteroethene. Chemical Physics Letters, 145 (4). pp. 347-353. ISSN 0009-2614
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To link to this item DOI: 10.1016/0009-2614(88)80019-8
The =CH2 AND =CD2 stretching vibrational overtones of H2C=CD2 have been studied up to V= 6 and V= 3, respectively. We report their interpretation in terms of a transition from normal to local modes, involving Fermi resonance with the C=C stretching and CH2 scissoring vibrations. We discuss the alternative representation of the vibrational Hamiltonian matrix in local mode and normal mode basis functions, and conclude that the normal mode basis offers greater flexibility in representing small anharmonic couplings with other modes.