Abstract
The rotational spectra of 1,3,5-heptatriyne, CH 3(CC) 3H and 1-cyano-2,4-pentadiyne, CH 3(CC) 2CN have been studied in detail between 26.5 and 40.0 GHz. The molecules have long linear chains of heavy atoms and show characteristic C 3 v symmetric top spectra consisting of groups of R-branch lines at regular intervals separated by approximately 2 B 0. Six isotopic modifications of CH 3(CC) 2CN have been detected in natural abundance allowing r s substitution structural data to be derived for this species. Long linear polyacetylenic chains are quite flexible and this dynamic property manifests itself in the appearance of extended sequences of complex vibrational satellites associated with the bending of the chain. The vibrational ground state spectra as well as several low frequency vibrational satellites have been analyzed yielding various vibration-rotation parameters. For CH 3(CC) 3H B 0 = 778.2445 ± 0.0007 and for CH 3(CC) 2CN B 0 = 778.040 ± 0.001 MHz.
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