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THE STRUCTURE OF CIS-3-ENE-1,5-DIYNE
Robb J. Wilson, Robert L. Kuczkowski, Sean A. Peebles, Robert J. Halter, Ryan L. Fimmen, Robert J. McMahon
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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.