Article ID Journal Published Year Pages File Type
5415549 Journal of Molecular Spectroscopy 2008 9 Pages PDF
Abstract
The infrared spectrum of the AsH2D molecule has been measured in the region of the three bending fundamental bands on a Fourier transform spectrometer with a resolution of 0.0024 cm−1 and analyzed for the first time. More than 7500 normally allowed and in addition about 600 forbidden, but perturbation-activated transitions with Jmax=21, Kamax=20 and Kcmax=21 have been assigned to the bands ν3, ν4, and ν6. The measured transition wavenumbers were used to determine 1047 upper energy values. These energies were fitted with a Watson-type Hamiltonian in A reduction and IIIl representation taking into account resonance interactions between all three bending states, (001000), (000100), and (000001) and led to a physically meaningful set of 25 diagonal and 52 resonance spectroscopic parameters. These reproduce the experimental energies with an rms deviation of 0.00021 cm−1, which is close to the experimental uncertainty.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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