Issue 0, 1979

Conformational study of ethyl nitrite by microwave spectroscopy

Abstract

The microwave spectrum of ethyl nitrite shows the presence of three rotational isomers. Two rotamers correspond to cis, trans[τ1(ON—OC)= 0°, τ2(CC—ON)= 180°] and cis, gauche(τ1= 0°, τ2= 80°) structures. Relative intensities show the cis, gauche to be less stable by 238 ± 50 cm–1. A third rotamer, less stable than the cis, trans by 81 ± 20 cm–1, has been assigned a trans, gauche structure (τ1= 180°, τ2= 90°). Internal rotation about the C—O bond in the cis isomer has been studied through relative intensities of spectra in excited torsional states. For the trans isomer, a precise barrier height of 137 ± 7 cm–1 separating the two equivalent gauche forms has been derived from vibration–rotation interactions in the v= 1, C—O torsional state spectra of both trans, gauche CH3CH2ONO and CD3CD2ONO. Dipole moments for the three rotamers are also reported.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1979,75, 317-336

Conformational study of ethyl nitrite by microwave spectroscopy

P. H. Turner, J. Chem. Soc., Faraday Trans. 2, 1979, 75, 317 DOI: 10.1039/F29797500317

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