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The Microwave Spectrum of 1-Chloro-2-methylpropene

✍ Scribed by Timm Bruhn; Wolfgang Stahl

Publisher: Elsevier Science
Year: 2000
Tongue: English
Weight: 391 KB
Volume: 202
Category: Article
ISSN: 0022-2852
DOI: 10.1006/jmsp.2000.8144

No coin nor oath required. For personal study only.

✦ Synopsis

The rotational spectrum of 1-chloro-2-methylpropene has been measured with very high resolution using pulsed molecularbeam Fourier transform microwave (MB-FTMW) spectrometers in the range from 3 to 40 GHz. The analysis yielded accurate rotational constants, centrifugal distortion constants, the complete 35 Cl and 37 Cl quadrupole coupling tensors, and the V 3 hindering barriers of both methyl rotors. These results supplement and improve previous observations made with waveguide microwave and infrared spectroscopy under considerably lower resolution. Moreover, a potential surface depending on the two angles of internal rotation was calculated using ab initio methods. This enabled us to compare theoretical and experimental potential barriers and to obtain information on higher potential terms and top-top interaction constants, which were not available from the experimental data alone.

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