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
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, theref...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
1988
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| Online Access: | http://psasir.upm.edu.my/id/eprint/33793/ http://psasir.upm.edu.my/id/eprint/33793/1/the%20A3B2a.pdf |
| _version_ | 1848847597129695232 |
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| author | Hollas, J. Michael Hussein, Mohd Zobir |
| author_facet | Hollas, J. Michael Hussein, Mohd Zobir |
| author_sort | Hollas, J. Michael |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-15T09:21:08Z |
| format | Article |
| id | upm-33793 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T09:21:08Z |
| publishDate | 1988 |
| publisher | Elsevier |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-337932015-04-20T01:19:19Z http://psasir.upm.edu.my/id/eprint/33793/ 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 Hollas, J. Michael Hussein, Mohd Zobir 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. Elsevier 1988-03-07 Article PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/33793/1/the%20A3B2a.pdf 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 10.1016/0301-0104(88)87159-3 |
| spellingShingle | Hollas, J. Michael Hussein, Mohd Zobir 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 |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | ã 1b2u-x̃1ag electronic absorption spectrum of 1,2,4,5-tetrafluorobenzene: rotational band contour and vibrational analysis relating to non-planarity in the ã state |
| url | http://psasir.upm.edu.my/id/eprint/33793/ http://psasir.upm.edu.my/id/eprint/33793/ http://psasir.upm.edu.my/id/eprint/33793/1/the%20A3B2a.pdf |