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The à 1B2u-X̃1Ag electronic absorption spectrum of 1,2,4,5-tetrafluorobenzene: rotational band contour and vibrational analysis relating to non-planarity in the à state


Citation

Hollas, J. Michael and Hussein, Mohd Zobir (1988) The à 1B2u-X̃1Ag electronic absorption spectrum of 1,2,4,5-tetrafluorobenzene: rotational band contour and vibrational analysis relating to non-planarity in the à state. Chemical Physics , 124 (2). pp. 297-303. ISSN 0301-0104

Abstract / Synopsis

The vapour phase electronic absorption spectrum of 1,2,4,5-tetrafluorobenzene, in the region of the S1-S0 band system, has been photographed under conditions of high resolution. Computer simulation of the observed rotational contours has shown that all the most intense bands are type A and, therefore, that the electronic assignment is A ‘B2uX1Ag. The rotational constants in the A state are consistent with an out-of-plane angle of the C-F bonds of 11+4”. This is consistent with the result obtained by Okuyama et al., from the supersonic jet spectrum, that the fluorine atoms are out-of-plane in a “butterfly” configuration. Obser- vation of hot bands of the butterfly vibration, which are frozen out in the jet spectrum, provides strong support for the W-shaped potential function proposed by Okuyama et al. for this vibration in the A state.


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Additional Metadata

Item Type: Article
Divisions: Universiti Pertanian Malaysia
Institute of Advanced Technology
DOI Number: https://doi.org/10.1016/0301-0104(88)87159-3
Publisher: Elsevier
Keywords: Electronic absorption spectrum
Depositing User: Azhar Abdul Rahman
Date Deposited: 20 Apr 2015 09:19
Last Modified: 20 Apr 2015 09:19
Altmetrics: http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.1016/0301-0104(88)87159-3
URI: http://psasir.upm.edu.my/id/eprint/33793
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