A simple dynamical model is used to calculate the overtone spectra of CH and CD stretch vibrations of C6H6 and C6D6 in both vapour and liquid phases. The quantized version of this model describes the normal-mode character of the first excited states. A semiclassical version describes the local-mode character of the overtone bands. © 1986.
|Number of pages||6|
|Journal||Chemical Physics Letters|
|Publication status||Published - 28 Nov 1986|