Microwave studies of the three conformers of butyl cyanide

Three conformers of n-butyl cyanide have been characterized by microwave spectroscopy. Low and medium resolution studies on static gas samples in Stark-modulated spectrometers revealed the presence of three conformational species and identified them. High resolution pulsed-jet Fourier transform spec...

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Bibliographic Details
Published in:Journal of molecular structure 1997-09, Vol.413, p.293-300
Main Authors: Bohn, Robert K., Pardus, Jennifer L., August, Julie, Brupbacher, Thomas, Jäger, Wolfgang
Format: Article
Language:English
Subjects:
Butyl cyanide
Conformations
Microwave
Quadrupole coupling
Valeronitrile
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Summary:Three conformers of n-butyl cyanide have been characterized by microwave spectroscopy. Low and medium resolution studies on static gas samples in Stark-modulated spectrometers revealed the presence of three conformational species and identified them. High resolution pulsed-jet Fourier transform spectra allowed the assignment of individual transitions of each species yielding rotational and centrifugal distortion constants, 14N quadrupole coupling constants, and qualitative relative energies of the species. The anti-anti and gauche(CN end)- anti forms are more stable than the anti-gauche(methyl end) conformer. The 14N quadrupole coupling constants, which appear so different among the different conformers, are consistent with a reference electric field gradient, that in methyl cyanide, rotated to the inertial axes of each conformer of butyl cyanide.
ISSN:0022-2860
1872-8014
DOI:10.1016/S0022-2860(97)00167-1