CONFORMATIONAL STUDY OF USNIC ACID

DOI

A conformational analysis of usnic acid by Inelastic Neutron Scattering spectroscopy is envisaged, aiming at a better understanding of the equilibrium between inter- and intramolecular hydrogen-bonds, and of the keto-enol tautomerism at physiological conditions, which are responsible for the structural preferences of the compound and therefore for its activity. The INS results thus obtained will complement previous studies performed by optical vibrational methods (Raman and FTIR) and by quantum mechanical (DFT) calculations.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24032847
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24032847
Provenance
Creator Dr John Tomkinson; Dr Maria Paula Marques; Dr Luis Alberto Batista de Carvalho
Publisher ISIS Neutron and Muon Source
Publication Year 2012
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2008-11-28T09:12:09Z
Temporal Coverage End 2009-06-02T19:23:10Z