4.6 Article

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

Journal

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 21, Issue 7, Pages 3545-3549

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cp04462g

Keywords

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Funding

  1. Italian MIUR (PRIN) [2010ERFKXL_001]
  2. University of Bologna
  3. China Scholarship Council (CSC) [201406750002]
  4. Marie Curie fellowship [PIOF-GA-2012-328405]
  5. CINECA award under the ISCRA initiative
  6. MINECO [CTQ2017-89150-R]
  7. 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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