Dynamically Modified Torsional Eigenstates for Single-Top Molecules

✍ Scribed by W.E. Mellor; A.R. Lee; T.M. Kalotas

• Publisher: Elsevier Science
• Year: 1998
• Tongue: English
• Weight: 116 KB
• Volume: 189
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1998.7551

✦ Synopsis

We present a semiclassical treatment for the inclusion of kinetic energy-dependent variations in the moment of inertia for certain molecules exhibiting internal rotational motion. The model is applied to trifluoroacetyl bromide and the resulting dynamically modified transition energies yield an improved spectral deviation in contrast to the rigid model.