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.File in questo prodotto:
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