Inelastic neutron scattering investigations of the quantum molecular dynamics of a H 2 molecule entrapped inside a fullerene cage

摘要: The quantum dynamics of dihydrogen molecules entrapped inside fullerene cages has been investigated using inelastic neutron scattering (INS). For the endofullerene H-2@C-60 low-lying energy levels manifold coupled translational and rotational states have accurately determined by studying INS spectra recorded in temperature range 1.5 <= T 240 K. majority transitions observed interconvert nuclear spin isomers orthohydrogen parahydrogen. cage potential icosahedral symmetry splittings reveal coupling angular momentum H-2 molecules. effects symmetry, isotope mass effects, anisotropy further HD@C-60 an open endofullerene. transfer. arising from event also investigated. The.-dependence reflect physical dimensions molecule its confinement cage. We show how this may be used as a tool for assigning