THE STRUCTURE OF CIS-3-ENE-1,5-DIYNE
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Date
1999
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
The microwave spectrum of seven isotopes of cis-hex-3-ene-1,5-diyne has been observed using a pulsed-nozzle Fourier transform spectrometer. The inertial defect of $0.43 (amu-{\AA}^{2})$ indicates planarity, as expected for this $\pi$-conjugated system. The $r_{o}$ and $r_{s}$ structures will be discussed and compared to results from ab initio calculations. The evidence for non-linearity in the alkyne arms (CCCH) will be discussed, given that this highly unsaturated molecule is the prototype hydrocarbon which undergoes the Bergman cyclization to benzenoid diradicals.
Description
Author Institution: Department of Chemistry, University of Michigan; Department of Chemistry, University of Wisconsin