Quantum dynamics of H2 in the endofullerene H2@C60: Crystal field effects and fine structure in the J=0 to J=1 rotational line
This proposal is part of a programme of INS and NMR measurements into the quantum dynamics of H2 molecules entrapped inside the cage of C60. This is the endofullerene H2@C60 and for the first time an ultra-pure sample produce by sublimation is available in sufficient quantity for INS. In this proposal we aim to investigate the rotational line of H2 at -14.6meV with high resolution. The objective is to investigate the fine structure that will arise from a lifting of the nine-fold degeneracy of this state due to the crystal field, specifically endofullerene interactions. Such fine structure has been proposed on theoretical grounds and indirect evidence comes from heat capacity measurements. A shift in the line position at low temperature has been earlier observed by us and is consistent with the heat capacity observations, although the experiments need to be conducted at lower temperatures and with an ultra-pure sample. Application of pressure will provide a further stringent interrogation of the inter-fullerene interactions. The experiments will be used to develop our understanding of the potential energy surface and the influence and origin of the crystal field interactions.
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HORSEWILL Anthony J.; GOH Kelvin; JOHNSON Mark Robert; LEVITT Malcolm; MAMONE Salvatore; OLLIVIER Jacques; ROLS Stephane and TURRO Nicholas. (2014). Quantum dynamics of H2 in the endofullerene H2@C60: Crystal field effects and fine structure in the J=0 to J=1 rotational line. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-05-412
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