Frequency shifts of vibrational and rotational states of dilute H2, D2, and HD impurities in solid Ar under pressure
The frequency shifts of the vibrational and rotational transitions of H2, D2, and HD molecules trapped in solid Ar are calculated at zero temperature and at pressures 0< or =P< or =373 kbar. It is found that the pure vibrational and rotational-vibrational transition frequencies are strongly red-shifted in the solid at P = 0, compared to gas-phase values, and the agreement with Raman scattering measurements is generally good. The calculated pure rotational transitions also show a small red shift at P = 0 in the solid and are in generally good agreement with the measurements of Jodl and Bier, but less so with those of Prochaska and Andrews, who, except for D2(Ar), measure small blue shifts. The calculated local-mode frequencies of the impurity molecules in the solid at P = 0 are also in good agreement with experiment, especially when thermal corrections are considered. With increasing pressure all transition frequencies and the local-mode frequencies are strongly blue-shifted with respect to P = 0 solid values.
- Research Organization:
- Laboratoire des Spectrochemie Moleculaire, Universite Pierre et Marie Curie, F-75230 Paris Cedex 05, France
- DOE Contract Number:
- AC02-84ER45050
- OSTI ID:
- 6076925
- Journal Information:
- Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 33:4; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
Similar Records
Reinvestigation of the Raman spectra of dihydrogen trapped in rare gas solids. I. H/sub 2/, HD, and D/sub 2/ monomeric species
Rotational relaxation in HD--inert gas mixtures
Related Subjects
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ARGON
DEFORMATION
DEUTERIDES
DEUTERIUM
DEUTERIUM COMPOUNDS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITED STATES
FLUIDS
GASES
HYDROGEN
HYDROGEN COMPOUNDS
HYDROGEN DEUTERIDE
HYDROGEN ISOTOPES
ISOTOPES
LATTICE VIBRATIONS
LIGHT NUCLEI
MATRIX ISOLATION
NONMETALS
NUCLEI
ODD-ODD NUCLEI
PRESSURE DEPENDENCE
RARE GASES
ROTATIONAL STATES
SOLIDS
SPECTRAL SHIFT
STABLE ISOTOPES
VERY HIGH PRESSURE
VIBRATIONAL STATES