Empirical corrections of the rigid rotor interaction potential of H2-H2 in the attractive region: Dimer features in the FIR absorption spectra

Details Empirical corrections of the rigid rotor interaction potential of H2-H2 in the attractive region: Dimer features in the FIR absorption spectra Empirical corrections of the rigid rotor interaction potential of H2-H2 in the attractive region: Dimer features in the FIR absorption spectra

Apr 1994

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1994a%26a...284.1015s&link_type=abstract

Astronomy and Astrophysics (ISSN 0004-6361), vol. 284, no. 3, p. 1015-1025

Computer Science

Numerical Analysis

9

Absorption Spectra, Dimerization, Far Infrared Radiation, Molecular Interactions, Ortho Hydrogen, Para Hydrogen, Potential Energy, Virial Coefficients, Hamiltonian Functions, Low Temperature, Matrix Methods, Numerical Analysis, Rigid Rotors, Series Expansion, Thermodynamic Equilibrium

Scientific paper

An improved rigid rotor potential of the H2-H2 system has been determined for reproducing measured quantities which are especially sensitive to the full non-spherical interaction in the attractive region. The leading potential terms have been fitted one after the other: the isotropic term V000 has been adapted to two sets of measured second virial coefficients of para-H2, at temperatures up to 200 K, the anisotropic term V022 (=V202) has been adapted to reproduce measured hyperfine transition frequencies of the ortho-H2 - para-H2 dimers observed in a molecular beam magnetic resonance experiment by Verberne (1979) and Verberne & Reuss (1980, 1981), and additional observed data for the ortho-H2 - ortho-H2 dimers have been used to adapt the quadrupole-quadrupole interaction term V224 as well. Satisfying quantitative agreement has been achieved in all these fits. The sensitive (rather small) empirical improvements of the anisotropic potential parts provide now improved dimer binding energies. The possible dimer features in the far infrared (less than 30/cm) spectrum hydrogen gas at very low temperature are shown by discussing a few examples, under the assumption of dimerization equilibrium: normal-H2 at 20 K, equilibrium-H2 at 60 and 120 K, and a highly speculative model of cold interstellar molecular hydrogen at about 5 K.

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