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Updated: Oct 20, 2025

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
Disentangling the complex network of non-covalent interactions in fenchone hydrates via rotational spectroscopy and
Mhamad Chrayteh1, Ecaterina Burevschi2, Donatella Loru2
1University of Lille, CNRS, UMR 8523 - PhLAM - Physique des Lasers, Atomes et Molécules, F-59000 Lille, France. pascal.drean@univ-lille.fr.
Abstract:
The hydrates of the monoterpenoid fenchone (C10H16O)·(H2O) (n = 1, 2, 3) were investigated by both computational chemistry and microwave spectroscopy. Two monohydrates, three dihydrates and for the first time three trihydrates were identified through the observation of the parent and 18O isotopologues in the rotational spectrum from 2 to 20 GHz. For each hydrate, the sets of rotational constants enabled the determination of the substitution coordinates of the oxygen water atoms as well as an effective structure accounting for the arrangement of the water molecules around fenchone. The hydrates consist of water chains anchored to fenchone by a -CO⋯H-O hydrogen bond and further stabilized by numerous -H-O⋯H-C- secondary hydrogen bonds with the alkyl hydrogen atoms of fenchone.
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