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

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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–H⋯N intermolecular hydrogen bond. Structural features of these hydrogen bonds are given and compared to those of similar molecular adducts. The O⋯N distance decreases by 4 mÅ upon deuteration of the hydroxyl group, denoting a marked reverse Ubbelohde effect of the O–H⋯N hydrogen bond.

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

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Publication details

The article was received on 14 Jul 2018, accepted on 20 Aug 2018 and first published on 20 Aug 2018


Article type: Paper
DOI: 10.1039/C8CP04462G
Citation: Phys. Chem. Chem. Phys., 2018, Advance Article
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    Interactions between azines and alcohols: a rotational study of pyridine–tert-butyl alcohol

    L. Spada, I. Uriarte, W. Li, L. Evangelisti, E. J. Cocinero and W. Caminati, Phys. Chem. Chem. Phys., 2018, Advance Article , DOI: 10.1039/C8CP04462G

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