We report the results of a pulsed jet Fourier transform microwave investigation of the molecular complex tert-butanol 1,4-dioxane and of its isotopologue tert-butanol(OD) 1,4-dioxane. The rotational spectra have been observed only for one conformer in which tert-butanol acts as a proton donor to one of the axial lone pairs of one ring oxygen. The D quadrupole coupling constants have been determined for the OD isotopologue, and a 0.006 Å shrinking of the O O distance upon deuteration of the hydroxyl group (Ubbelohde effect) has been observed.

A rotational study of the molecular complex tert-butanol•••1,4-dioxane

EVANGELISTI, LUCA;CAMINATI, WALTHER
2011

Abstract

We report the results of a pulsed jet Fourier transform microwave investigation of the molecular complex tert-butanol 1,4-dioxane and of its isotopologue tert-butanol(OD) 1,4-dioxane. The rotational spectra have been observed only for one conformer in which tert-butanol acts as a proton donor to one of the axial lone pairs of one ring oxygen. The D quadrupole coupling constants have been determined for the OD isotopologue, and a 0.006 Å shrinking of the O O distance upon deuteration of the hydroxyl group (Ubbelohde effect) has been observed.
2011
L.Evangelisti; W.Caminati
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/109221
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