Structural Studies of 9-methyltriptycenes

DOI

We aim at obtaining reliable structural information for selected compounds from a series of four 9-methyltripticene derivatives. These compounds form in the solid state interesting intra- and intermolecular C-H...Acceptor hydrogen bonds. Structural information obtained from neutron diffraction (in particular positions and ADPs of hydrogen atoms) will later be used to perform combined high resolution neutron and X-ray diffraction charge density studies for these compounds. As a result we expect quantitative experimental electron density distributions to get details of C-H...Acceptor hydrogen bonds. We will then perform topological analysis of electron densities and finally will correlate experimental critical point (and integrated) properties of charge densities with 1J(C,H) couplings to the individual protons (and other parameters) obtained from NMR.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24070373
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24070373
Provenance
Creator Professor Krzysztof Wozniak
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 2009-07-18T08:24:52Z
Temporal Coverage End 2009-07-29T14:26:44Z