Abstract
The crystal field splitting of single J=1 impurity orthohydrogen molecules in an otherwise pure J=0 parahydrogen crystal has been studied experimentally and theoretically over many years. We have measured this quantity directly from the fine structure of the Q3 (0) (v = 3← 0, J = 0← 0) overtone transition induced by J=1 hydrogen, in the near infrared using a Ti:sapphire laser. From our observed eight pairs of split spectral lines, we have determined the value Δ/k = [E(M=±1) − E(M=0)]/k = 0.0102 ± 0.0003 K including its sign. A straightforward numerical calculation based on ab initio calculations of the H2-H2 potential reproted by Mulder, van der Avoird, and Wormer gives Δ/k = 0.0116 K which is close to the experimental value. This suggests that the static and dynamic effects of phonons on the splitting may have been overestimated in the past.
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Dickson, R.M., Byers, T.J. & Oka, T. Direct measurement of the crystal field splitting of isolated J=1 impurities in solid parahydrogen. J Low Temp Phys 102, 241–247 (1996). https://doi.org/10.1007/BF00754660
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DOI: https://doi.org/10.1007/BF00754660