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

被引：11

作者：

Evangelisti, Luca ^{[1
]}

Caminati, Walther ^{[1
]}

机构：

[1] Dipartimento Chim G Ciamician Univ, I-40126 Bologna, Italy

来源：

CHEMICAL PHYSICS LETTERS | 2011年 / 514卷 / 4-6期

关键词：

EQUATORIAL HYDROGEN-BONDS; TRANSFORM MICROWAVE SPECTROMETER; DIMER; BEAM; DIMETHYLETHER; CONFORMERS; CONSTANTS; SPECTRUM;

D O I：

10.1016/j.cplett.2011.08.081

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report the results of a pulsed jet Fourier transform microwave investigation of the molecular complex tert-butanol center dot center dot center dot 1,4-dioxane and of its isotopologue tert-butanol(OD)center dot center dot center dot 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 angstrom shrinking of the O center dot center dot center dot O distance upon deuteration of the hydroxyl group (Ubbelohde effect) has been observed. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：244 / 246

页数：3

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