Between the local-mode and normal-mode limits
โ Scribed by A.C. Scott; P.S. Lomdahl; J.C. Eilbeck
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 639 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
A simple model system is introduced for the vibrational analysis of polyatomic molecules. Y~US classical system is based on complex mode amplitudes and reduces to either the normal-mode (NM) or the localmode (LM) description in appropriate Limits. Upon analysis without perturbative assumptions, the system exhibits sinusoidal. periodic, quasiperiodic and chaotic behaviors between the NM and the LM limits.
๐ SIMILAR VOLUMES
The C-F stretching fundamental and overtone spectra are reported for CFICll for up to fiie vibrational quanta A three-parameter local mode model accounts for both the frequencies and the relative intensities and provides a detailed description of the intramolecular dynamics following the excitation
It is shown that typical structures computed for the fundamental stretching states of XY3 and XY, molecules can be directly accounted for if local-axis symmetry is introduced. The method is extended to XY6 tops and to other higher excited states.
The =CHI and =CD2 stretching vibrational overtones of H&-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 CHz scissoring vibrations. We discuss the altern