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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.
Affiliation
  • Spada L; Dipartimento di Chimica "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy. walther.caminati@unibo.it.
Phys Chem Chem Phys ; 21(7): 3545-3549, 2019 Feb 13.
Article in En | MEDLINE | ID: mdl-30168540
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.

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2019 Document type: Article Affiliation country: Italy Country of publication: United kingdom

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2019 Document type: Article Affiliation country: Italy Country of publication: United kingdom