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
The 3 ← 0 CH stretch overtone of benzene
✍ Scribed by D. Bassi; L. Menegotti; S. Oss; M. Scotoni; F. Iachello
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 477 KB
- Volume
- 207
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The second CH stretch overtone of benzene has been studied both experimentally and theoretically. A recent high-resolution opto-thermal experiment showed that the overtone spectrum consists of several absorption bands located in the region between 8730 and 8875 cm-'. In this work, we investigate possible contributions of strong hot bands to the absorption around 8770 cm-'. Our results show that this region of the opto-thermal spectrum is not significantly affected by hot bands. The spectrum has been described by a theoretical calculation based on the algebraic theory. We fmd good agreement with experimental results. The lowfrequency region and minor satellite peaks are reproduced reasonably well. Quantum labels are assigned to some of the observed peaks.
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