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Ring-Puckering Motion in 1-Chloro-cyclopentene: Rotational Spectrum andab InitioCalculations

✍ Scribed by Walther Caminati; Roberto Danieli; Adolfo C. Fantoni; Juan C. Lopez

Publisher: Elsevier Science
Year: 1997
Tongue: English
Weight: 262 KB
Volume: 181
Category: Article
ISSN: 0022-2852
DOI: 10.1006/jmsp.1996.7148

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✦ Synopsis

The rotational spectra of 35 Cl and 37 Cl 1-chloro-cyclopentene have been investigated in the frequency range 26-40 GHz. The inversion splittings due to the ring-puckering motion have been determined to be 42320(10) and 42270(10) MHz for the two isotopomers, respectively. Four more vibrational states have been analyzed for the most abudant ( 35 Cl) species. The barrier hindering the ring-puckering has been evaluated. According to the ab initio calculations, it is lower than that in cyclopentene.

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✍ Laura B. Favero; Gianni Maccaferri; Walther Caminati; Martin Grosser; Marwan Dak 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 249 KB

The equatorial-axial conformational equilibrium of 1-chloro-1-silacyclobutane has been investigated by microwave spectroscopy and ab initio calculations. The potential energy function of the ring puckering motion has been determined: four vibrational states are localized in the equatorial well and t