Structural and Electronic Analysis of Li(NH3)4 and Li(ND3)4

DOI

We propose to investigate the detailed spectroscopy of the expanded metal systems 7Li(NH3)4 and 7Li(ND3)4 by inelastic neutron scattering. 7Li(NH3)4 shows multiple phase transitions and strong isotope effects and we thus ask for 5 days on TOSCA to study both 7Li(NH3)4 and 7Li(ND3)4 at temperatures around their phase transitions. We will record high quality spectral data at; <15K (Phase III), at 40K and 75K (Phase II) and at 85K (Phase I). Preliminary work, recently undertaken (03/09) as a TOSCA Express experiment and presented here, has demonstrated clear spectral changes that we believe arises as a result of these structural phase changes, first identified by Prof Bill David (Angew. Chem., 48(8), 1435 (2009). These studies will allow us to correlate our obtained spectral data with molecular vibrational models obtained from DFT calculations.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24079110
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24079110
Provenance
Creator Professor Bill David
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 2009-12-07T09:01:49Z
Temporal Coverage End 2009-12-21T10:50:02Z