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Proton spin-lattice relaxation of a tunnelling CH2D2 molecule

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  • van der Putten, D.
  • Trappeniers, N.J.

Abstract

The proton spin-lattice relaxation time of a CH2D2 molecule is calculated. The tunnel splittings are assumed to be much larger than the Zeeman energy. The dependence of the relaxation efficiency on the site symmetry is examined. The results are compared with experimental T1 values in the solid phases of CH2D2. Contrary to CH4 and CD4, the symmetry of the crystal field has no influence on the relaxation rate. The calculated relaxation rate is lower than experimentally observed, which indicates that some of the energy levels coincide.

Suggested Citation

  • van der Putten, D. & Trappeniers, N.J., 1985. "Proton spin-lattice relaxation of a tunnelling CH2D2 molecule," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 129(2), pages 327-342.
    • Handle: RePEc:eee:phsmap:v:129:y:1985:i:2:p:327-342
    DOI: 10.1016/0378-4371(85)90171-2
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    References listed on IDEAS

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    1. Michels, J.P.J. & Trappeniers, N.J., 1982. "Molecular dynamical calculations of the transport properties of a square-well fluid," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 116(3), pages 516-525.
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    1. Michels, J.P.J. & Trappeniers, N.J., 1985. "Molecular dynamical calculations of the viscosity of Lennard-Jones systems," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 133(1), pages 281-290.

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