Proton and deuteron magnetic resonance study of the HD--He potential energy surface

Journal Article · Tue May 15 04:00:00 EDT 1990 · Journal of Chemical Physics; (USA)

DOI:https://doi.org/10.1063/1.458361· OSTI ID:6807564

Wagner, R S; Armstrong, R L ^[1]; Bissonnette, E C; McCourt, F R.W. ^[2]

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1. Department of Physics, University of Toronto, Toronto, Ontario, Canada M5S 1A7 (CA)
2. Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 (CA)

The relaxation of hydrogen and deuterium nuclei in HD--He gas mixtures is studied both experimentally and theoretically in the temperature range 90--300 K. A rationalization is given for the temperature dependence of the proton and the deuteron relaxations in terms of the relative strengths of the proton and deuteron intramolecular couplings and the role played by those HD molecules in the ground rotational state. Using a recent {ital ab} {ital initio} potential, quantitative agreement is found between the temperature dependence of the spin--lattice relaxation time of the proton in HD, as calculated theoretically and determined experimentally. A similar comparison between the calculated and experimental temperature dependence of the spin--lattice relaxation time of the deuteron in HD gave only semiquantitative agreement. It is suggested that the difference in quantitative agreement may be attributed to the selectivity of the respective predominant relaxation mechanisms to slightly different aspects of the anisotropic components of the interaction potential.

• OSTI ID: 6807564
• Journal Information: Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 92:10; ISSN JCPSA; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
BINARY MIXTURES
DEUTERIDES
DEUTERIUM
DEUTERIUM COMPOUNDS
DISPERSIONS
ELEMENTS
FLUIDS
GASES
HELIUM
HYDROGEN
HYDROGEN COMPOUNDS
HYDROGEN DEUTERIDE
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
LOW TEMPERATURE
MEDIUM TEMPERATURE
MIXTURES
NMR SPECTRA
NONMETALS
NUCLEI
ODD-ODD NUCLEI
RARE GASES
RELAXATION
RELAXATION TIME
SPECTRA
SPIN-LATTICE RELAXATION
STABLE ISOTOPES