The Quantum Dynamics of the three-fold quantum rotor NH3 encapsulated inside a fullerene cage
We propose investigating the translation-rotation dynamics of ammonia molecules (NH3) encapsulated inside fullerene cages. This three-fold quantum rotor represents a new class of endofullerene, characterised by A and E spin-symmetry species. Exhibiting translation-rotation coupling and an inversion mode, there is fundamental interest in studying isolated three-fold NH3 rotors. Additionally we have interests in studying the lifetimes of the spin-symmetry species and the mechanisms of A-E conversion. At low temperature no conversion of ortho- and para H2@C60 has been observed over timescales of order one week. Ortho- and para-H2O@C60 interconvert on a timescale of order one day. The proposed INS experiments on NH3 will provide our first insights into the lifetimes of A- and E- species. We shall determine the manifold of translation-rotation levels to identify ‘accidental’ near-degeneracies between A and E states which may provide a conduit for conversion. Identifying the manifold of A- and E-states will also inform strategies we are developing to exploit spin-symmetry species for generating nuclear hyperpolarisation, which have the potential for technological applications
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HORSEWILL Anthony J.; JIMENEZ RUIZ Monica; JOHNSON Mark Robert; KOURIL Karel; LEVITT Malcolm; MAMONE Salvatore; ROLS Stephane and Richard J. Whitby. (2016). The Quantum Dynamics of the three-fold quantum rotor NH3 encapsulated inside a fullerene cage. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-04-148
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