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.
Interactions between azines and alcohols: A rotational study of pyridine-: Tert -butyl alcohol / Spada, Lorenzo; Uriarte, Iciar; Li, Weixing; Evangelisti, Luca; Cocinero, Emilio J.; Caminati, Walther. - In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - ISSN 1463-9076. - STAMPA. - 21:7(2019), pp. 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.
