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

Phys Chem Chem Phys. 2019 Feb 13;21(7):3545-3549. doi: 10.1039/c8cp04462g.

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.