Interactions between azines and alcohols: a rotational study of pyridine-tert-butyl alcohol

Physical Chemistry Chemical Physics : PCCP
Lorenzo SpadaWalther Caminati

Abstract

We assigned the rotational spectra of the parent and the OD isotopologues of the intermolecular complex pyridine-tert-butyl alcohol. The rotational and 14N quadrupole coupling constants are in agreement with a σ-type shape and a Cs symmetry of the complex. The two subunits are held together by a "classical" O-HN intermolecular hydrogen bond. Structural features of these hydrogen bonds are given and compared to those of similar molecular adducts. The ON distance decreases by 4 mÅ upon deuteration of the hydroxyl group, denoting a marked reverse Ubbelohde effect of the O-HN hydrogen bond.

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Citations

Sep 12, 2019·Journal of Computational Chemistry·Elena Yu TupikinaPeter M Tolstoy
Dec 29, 2020·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Carlos CabezasWalther Caminati

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