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.
L.Evangelisti, W.Caminati (2011). A rotational study of the molecular complex tert-butanol•••1,4-dioxane. CHEMICAL PHYSICS LETTERS, 514, 244-246 [10.1016/j.cplett.2011.08.081].
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
