We assigned the rotational spectra of the parent and the OD isotopologues of the intermolecular complex pyridine-tert-butyl alcohol. The rotational and 14 N quadrupole coupling constants are in agreement with a σ-type shape and a C s 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.
Spada, L., Uriarte, I., Li, W., Evangelisti, L., Cocinero, E.J., Caminati, W. (2019). Interactions between azines and alcohols: A rotational study of pyridine-: Tert -butyl alcohol. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21(7), 3545-3549 [10.1039/c8cp04462g].
Interactions between azines and alcohols: A rotational study of pyridine-: Tert -butyl alcohol
Spada, Lorenzo;Li, Weixing
;Evangelisti, Luca;Caminati, Walther
2019
Abstract
We assigned the rotational spectra of the parent and the OD isotopologues of the intermolecular complex pyridine-tert-butyl alcohol. The rotational and 14 N quadrupole coupling constants are in agreement with a σ-type shape and a C s 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
