Physics – Chemical Physics
Scientific paper
Oct 1982
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1982jchph..77.3693v&link_type=abstract
Journal of Chemical Physics, vol. 77, Oct. 1, 1982, p. 3693-3702. Research supported by the Nederlandse Organisatie voor Zuiver
Physics
Chemical Physics
59
Dipole Moments, Electron Transitions, Hydrogen Chlorides, Interstellar Matter, Photodissociation, Atmospheric Chemistry, Chemical Bonds, Configuration Interaction, Molecular Orbitals, Photoabsorption, Radiative Lifetime, Self Consistent Fields
Scientific paper
Various ab initio methods have been employed for the study of photodissociation processes in the HCl molecule. Potential curves for selected singlet and triplet states and dipole transition moments between singlet states have been calculated. The transition moments vary significantly with internuclear distance for all states studied. The lifetime of the B1 Sigma (+) state is predicted to be 3 ns. The calculations show that photodissociation of HCl occurs by absorption into the repulsive A1Pi state and by absorption into the bound C1Pi state, followed by predissociation. The theoretical photodissociation cross sections for the A1Pi state and oscillator strengths for the C1Pi state are in good agreement with experimental data. The contributions from other excited states are investigated. The photodissociation rate of HCl in diffuse interstellar clouds is computed.
Dalgarno Alexander
van Dishoeck Ewine F.
van Hemert Marc C.
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