The quantum dynamics of ortho- andpara-water in the endofullerene H2O@C60: translational and rotationaleigenstates probed by INS

DOI

In this proposal we aim to investigate the quantum dynamics of encapsulated water molecules in a sample of the endofullerene H2O@C60. This complex was synthesised for the first time in 2011. The rotational and translational energy levels will be determined from the INS spectra recorded in NE gain and NE loss. The influence of nuclear spin-symmetry will be probed through the identification of ortho- and para-water and their characteristic signatures in the spectrum. INS is uniquely equipped to study the low-lying energy levels of H2O@C60 because it is able to induce spin-flip transitions that are forbidden to photon spectrocopy. This system is of particular interest because the entrapped molecule is polar and its confinement in the fullerene cage almost uniquely enables the H2O molecule to be studied in isolation. The spectra will be used to probe the non-bonding interactions that characterise the confining cage potential.

Identifier
DOI https://doi.org/10.5291/ILL-DATA.7-05-396
Metadata Access https://data.ill.fr/openaire/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=10.5291/ILL-DATA.7-05-396
Provenance
Creator Horsewill, Anthony; Ollivier, Jacques; Goh, Kelvin; Levitt, Malcolm; Denning, Mark; Johnson, Mark Robert; Turro, Nicholas; Mamone, Salvatore; Rols, Stephane
Publisher Institut Laue-Langevin
Publication Year 2013
Rights OpenAccess; info:eu-repo/semantics/openAccess
OpenAccess true
Representation
Resource Type Dataset
Size 13 GB
Version 1
Discipline Particles, Nuclei and Fields