Vibronic coupling in the lowest singlet state of dibenzofuran
β Scribed by A. Bree; A.R. Lacey; I.G. Ross; R. Zwarich
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 449 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The lower&y absorption system of dibenzofuran vapour has been re-measured at high resolution. The origin band (0) and the prominent band at 0 + 445 have different contours, and so have opposite polarization. In the solid state, the frequency of the prominent vibrational interval is already known to be markedly affected by a change of matrix. The polarized spectrum of drbenzofuran in a stretched poiyethylene sheet at 140O.K is reported and is similar to the vapour phase spectrum so that the polyethylene matrix does not severely perturb the spectrum. Vibronic coupling is shown to involve a b2 vibration of frequency 430 cm-' in the polymer ftim, and estimates for the viironic coupling matrix element are given.
π SIMILAR VOLUMES
Calculations on the energy of the possible isomers of HC2N revealed that the triangular 'A' state was lowest lying at I .3 kcall mol below the bent 'A" state which is theoretically lower than the linear 'I-state. The geometries were determined by the secondorder Mtiller-Plesset (MP2) perturbation me