High-Pressure Structural Behaviour of 2,2,2-trifluoro-ethanol

DOI

In the mono-alcohols (ROH) there is a competition between the packing requirements of the R-group and the demand for the hydroxyl groups to be sufficiently close for hydrogen bonding to occur. The adopted packing motifs can be chains, or catemers, if the R-group is sufficiently small. For bulkier R-groups the molecules may no longer form hydrogen bonded catemers but cyclic dimer, trimer, tetramer or hexamer rings can be created. We have been studying a series of ROH systems at pressure and we have recently found a previously unobserved structure of 2,2,2-trifluoro-ethanol where the R-groups are small enough to allow catemer formation. The neighbouring catemers have a bridging O…O contact of 2.899 Å which is comparable to the 2.760 Å distance between the oxygen atoms involved in the hydrogen bonds. It can be envisaged that a cross-linking hydrogen bond could be formed at higher pressure.

Identifier
DOI https://doi.org/10.5286/ISIS.E.98002711
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/98002711
Provenance
Creator Dr Sarah Barnett; Dr David Allan; Dr Craig Bull
Publisher ISIS Neutron and Muon Source
Publication Year 2021
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 Chemistry; Natural Sciences; Physics
Temporal Coverage Begin 2018-09-24T09:00:00Z
Temporal Coverage End 2018-09-28T09:00:00Z