THE CIS AND TRANS ROTATIONAL ISOMERS OF 3-FLUOROSTYRENE - WHAT IS THEENERGY DIFFERENCE BETWEEN THEM

Authors
HARPER CM HOLLAS JM
Citation
Cm. Harper et Jm. Hollas, THE CIS AND TRANS ROTATIONAL ISOMERS OF 3-FLUOROSTYRENE - WHAT IS THEENERGY DIFFERENCE BETWEEN THEM, Chemical physics letters, 226(5-6), 1994, pp. 577-582
Citations number
10
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
226
Issue
5-6
Year of publication
1994
Pages
577 - 582
Database
ISI
SICI code
0009-2614(1994)226:5-6<577:TCATRI>2.0.ZU;2-H
Abstract
Results obtained for 3-fluorostyrene from single vibronic level fluore scence in a supersonic jet, microwave spectroscopy and ab initio calcu lations have been interpreted to give cis-trans energy differences of 220 +/- 50, 26 +/- 45, and 43 cm-1 with cis the more stable. Calculati ons have suggested that the torsional potential may include a V3 term, in addition to the V1, V2 and V4 terms used to interpret the fluoresc ence data. It is shown that it is possible that all three results can be reconciled in this way.