RING-PUCKERING MOTION IN 1-CHLORO-CYCLOPENTENE - ROTATIONAL SPECTRUM AND AB-INITIO CALCULATIONS

Authors
CAMINATI W DANIELI R FANTONI AC LOPEZ JC
Citation
W. Caminati et al., RING-PUCKERING MOTION IN 1-CHLORO-CYCLOPENTENE - ROTATIONAL SPECTRUM AND AB-INITIO CALCULATIONS, Journal of molecular spectroscopy, 181(1), 1997, pp. 91-98
Citations number
44
Categorie Soggetti
Spectroscopy,"Physics, Atomic, Molecular & Chemical
Journal title
Journal of molecular spectroscopy → ACNP
ISSN journal
00222852
Volume
181
Issue
1
Year of publication
1997
Pages
91 - 98
Database
ISI
SICI code
0022-2852(1997)181:1<91:RMI1-R>2.0.ZU;2-L
Abstract
The rotational spectra of Cl-35 and Cl-37 1-chloro-cyclopentene have b een investigated in the frequency range 26-40 GHz. The inversion split tings due to the ring-puckering motion have been determined to be 4232 0(10) and 42270(10) MHz for the two isotopomers, respectively. Four mo re vibrational states have been analyzed for the most abudant (Cl-35) species, The barrier hindering the ring-puckering has been evaluated, According to the nb initio calculations, it is lower than that in cycl opentene. (C) 1997 Academic Press, Inc.