The high-resolution infrared spectrum of triacetylene

D. McNaughton, D. N. Bruget

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The high resolution Fourier transform infrared spectra of the ν5, ν6, ν11, and ν8 + ν11 bands of triacetylene have been recorded. More than 1300 transitions have been assigned using an interactive Loomis-Wood program to facilitate the rovibrational analyses of these bands and their associated hot bands. The ground and excited state rotational and centrifugal distortion constants together with band origins and vibration-rotation parameters are presented. The ground state rotational constant, B0, of 0.04417223(15) cm-1 is compared with Be values obtained from ab initio calculations and with a B value calculated from an expected geometry of triacetylene based on the known rs geometry of HC5N.

Original languageEnglish
Pages (from-to)620-634
Number of pages15
JournalJournal of Molecular Spectroscopy
Issue number2
Publication statusPublished - Dec 1991

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