Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 21, Issue 7, Pages 3545-3549Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cp04462g
Keywords
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Funding
- Italian MIUR (PRIN) [2010ERFKXL_001]
- University of Bologna
- China Scholarship Council (CSC) [201406750002]
- Marie Curie fellowship [PIOF-GA-2012-328405]
- CINECA award under the ISCRA initiative
- MINECO [CTQ2017-89150-R]
- UPV/EHU [UFI11/23, PPG17/10]
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We assigned the rotational spectra of the parent and the OD isotopologues of the intermolecular complex pyridine-tert-butyl alcohol. The rotational and N-14 quadrupole coupling constants are in agreement with a sigma-type shape and a C-s 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 m angstrom upon deuteration of the hydroxyl group, denoting a marked reverse Ubbelohde effect of the O-HN hydrogen bond.
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