Variable Temperature studies of an anomalous proton sponge benzoic acid co-crystal complex

DOI

As part of a long-running programme, we have identified many co-crystallisation systems producing hydrogen-bonded molecular complexes yielding fascinating X-ray diffraction and DFT results. Among the molecular building blocks we utilise in creating these complexes are substituted benzoic acids and a series of so-called ¿proton sponge¿ complexes, of which the archetype is DMAN (dimethylaminonaphthalene). The complex of DMAN with 4-chlorobenzoic acid crystallises in a 1:1 ratio, and produces a unique situation where one DMAN is protonated, the other unprotonated. We aim to investigate this unusual situation of H-atom distribution as a function of T, and also the diffuse scattering, likely to be produced by the local arrangement of the chains of DMAN molecules.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24069587
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24069587
Provenance
Creator Professor David Keen; Professor Chick Wilson; Mr Andras Kallay
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 2009-06-21T08:34:12Z
Temporal Coverage End 2009-07-10T14:05:54Z