Hydrogen bonding in amorphous formic acid

DOI

Formic Acid (FA) is a simple model for rotational isomerism, and it presents four different hydrogen bonding sites. In a recent study, we have elucidated the structure of FA in the liquid state by means of neutron diffraction with H/D substitution and Monte Carlo simulations. The liquid phase has been found to include not only the structures present in the gas and in the solid, but also to display all four possible hydrogen bonds types. In this study, we will examine the hydrogen-projected density of phonon states in a sample of amorphous solid formic acid, prepared by vapour deposition technique. We propose to use TOSCA to measure the inelastic neutron scattering spectrum of FA. In addition, first principles molecular dynamics simulations will be used to gain insight into into the microscopic structure and dynamics of the liquid ad glassy states.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24090459
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24090459
Provenance
Creator Professor Christoph Salzmann; Dr Silvia Imberti; Dr Leonardo Bernasconi; Dr Daniele Colognesi; Dr Craig Wilson; Miss Mary-Ellen Donnelly; Dr John Loveday; Dr Frederic Datchi; Dr Craig Bull
Publisher ISIS Neutron and Muon Source
Publication Year 2016
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 2013-03-27T09:51:58Z
Temporal Coverage End 2013-03-29T01:02:03Z