CONFORMATIONAL EQUILIBRIUM IN (CYCLOPROPYLMETHYL)ACETYLENE - A MICROWAVE SPECTROSCOPY AND AB-INITIO CALCULATION STUDY

Authors
CAMINATI W DANIELI R DAKKOURI M BITSCHENAUER R
Citation
W. Caminati et al., CONFORMATIONAL EQUILIBRIUM IN (CYCLOPROPYLMETHYL)ACETYLENE - A MICROWAVE SPECTROSCOPY AND AB-INITIO CALCULATION STUDY, Journal of physical chemistry, 99(7), 1995, pp. 1867-1872
Citations number
29
Categorie Soggetti
Chemistry Physical
Journal title
Journal of physical chemistry → ACNP
ISSN journal
00223654
Volume
99
Issue
7
Year of publication
1995
Pages
1867 - 1872
Database
ISI
SICI code
0022-3654(1995)99:7<1867:CEI(-A>2.0.ZU;2-4
Abstract
The microwave spectrum of (cyclopropylmethyl)acetylene (a newly prepar ed compound) was investigated in the frequency range 28-40 GHz. Both g auche and cis conformers were observed, the latter being 64 +/- 30 cm( -1) lower in energy. The geometries of these conformers were obtained combining the ab initio and cm microwave spectroscopy results. A large -amplitude motion (the methylacetylene group torsion) was studied by a ssigning the rotational spectra of several torsionally excited states.