The quantum dynamics of ortho- and para-water in the endofullerene H2O@C60: translational and rotational eigenstates probed by INS
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.
Please note that you will need to login with your ILL credentials to download the data.
Download DataThe recommended format for citing this dataset in a research publication is in the following format:
HORSEWILL Anthony J.; DENNING Mark; GOH Kelvin; JOHNSON Mark Robert; LEVITT Malcolm; MAMONE Salvatore; OLLIVIER Jacques; ROLS Stephane and TURRO Nicholas. (2012). The quantum dynamics of ortho- and para-water in the endofullerene H2O@C60: translational and rotational eigenstates probed by INS. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-05-396
ILL has partnered with DataCite as the registration agency
for data persistent identifiers.