The 291-nm band system of 3-fluorostyrene: ground state vibrational assignments for the cis and trans rotamers from their supersonic jet spectra

Single vibronic level fluorescence spectra, with excitation in the O& 4 1;42& 42& and 29h bands of cis 3-fluorostyrene and in the 08 band of trans 3-fluorostyrene, have been obtained in a super-sonic jet. Assignments of these spectra show that some vibrational fundamentals, particularly...

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Main Authors: Hollas, J. Michael, Hussein, Mohd Zobir
Format: Article
Language:English
Published: Elsevier 1989
Online Access:http://psasir.upm.edu.my/id/eprint/33790/1/the%20291-nm%20band%20system.pdf
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author Hollas, J. Michael
Hussein, Mohd Zobir
author_facet Hollas, J. Michael
Hussein, Mohd Zobir
author_sort Hollas, J. Michael
collection UPM
description Single vibronic level fluorescence spectra, with excitation in the O& 4 1;42& 42& and 29h bands of cis 3-fluorostyrene and in the 08 band of trans 3-fluorostyrene, have been obtained in a super-sonic jet. Assignments of these spectra show that some vibrational fundamentals, particularly those involving the part of the molecule in the region of the vinyl group, are appreciably different in the two rotamers. In the So electronic state the cis rotamer is 220 cm-’ lower in energy than the tram and this difference is increased to 495 cm-’ in S, . The cis-trans barrier is increased from 1150 cm-’ in S, to about 2500 cm-’ in S, but a strong Duschinsky effect, affecting the C(1)-C(cx) torsional vibration, makes the barrier in s, very uncertain.
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spelling upm.eprints-337902015-04-20T01:07:46Z http://psasir.upm.edu.my/id/eprint/33790/ The 291-nm band system of 3-fluorostyrene: ground state vibrational assignments for the cis and trans rotamers from their supersonic jet spectra Hollas, J. Michael Hussein, Mohd Zobir Single vibronic level fluorescence spectra, with excitation in the O& 4 1;42& 42& and 29h bands of cis 3-fluorostyrene and in the 08 band of trans 3-fluorostyrene, have been obtained in a super-sonic jet. Assignments of these spectra show that some vibrational fundamentals, particularly those involving the part of the molecule in the region of the vinyl group, are appreciably different in the two rotamers. In the So electronic state the cis rotamer is 220 cm-’ lower in energy than the tram and this difference is increased to 495 cm-’ in S, . The cis-trans barrier is increased from 1150 cm-’ in S, to about 2500 cm-’ in S, but a strong Duschinsky effect, affecting the C(1)-C(cx) torsional vibration, makes the barrier in s, very uncertain. Elsevier 1989 Article PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/33790/1/the%20291-nm%20band%20system.pdf Hollas, J. Michael and Hussein, Mohd Zobir (1989) The 291-nm band system of 3-fluorostyrene: ground state vibrational assignments for the cis and trans rotamers from their supersonic jet spectra. Journal of Molecular Spectroscopy, 136 (1). pp. 31-43. ISSN 0022-2852
spellingShingle Hollas, J. Michael
Hussein, Mohd Zobir
The 291-nm band system of 3-fluorostyrene: ground state vibrational assignments for the cis and trans rotamers from their supersonic jet spectra
title The 291-nm band system of 3-fluorostyrene: ground state vibrational assignments for the cis and trans rotamers from their supersonic jet spectra
title_full The 291-nm band system of 3-fluorostyrene: ground state vibrational assignments for the cis and trans rotamers from their supersonic jet spectra
title_fullStr The 291-nm band system of 3-fluorostyrene: ground state vibrational assignments for the cis and trans rotamers from their supersonic jet spectra
title_full_unstemmed The 291-nm band system of 3-fluorostyrene: ground state vibrational assignments for the cis and trans rotamers from their supersonic jet spectra
title_short The 291-nm band system of 3-fluorostyrene: ground state vibrational assignments for the cis and trans rotamers from their supersonic jet spectra
title_sort 291 nm band system of 3 fluorostyrene ground state vibrational assignments for the cis and trans rotamers from their supersonic jet spectra
url http://psasir.upm.edu.my/id/eprint/33790/1/the%20291-nm%20band%20system.pdf
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