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The energy states are calculated for an oxygen molecule in a crystal field of cubic symmetry that would be appropriate for a substitutional site in solid methane. The resulting heat capacity is also calculated and discussed in relation to data for oxygen‐doped methane. The catalytic effect of oxygen on the spin‐species conversion of methane is treated by consideration of the dipole–dipole interaction of the electron spin of oxygen with the proton spin of methane. The matrix elements are calculated for the low‐energy states of methane and of oxygen. It is found that oxygen should be an effective catalyst for spin‐species conversion above about 0.3°K but that its effectiveness may decrease rapidly below that temperature.

Crystal field effects on oxygen in solid methane and the catalysis of spin-species conversion of methane