The Rydberg states of H2O

Empirical quantum defect functions are fit to the vibrational origins of the known rotationally resolved bands of H2O and D2O, including new analyses for bands in the region of the 3d (100) clusters. Consolidation of the H2O and D2O data allows an extrapolation of the 3p (0 v2 0) 1B2and 3p (1 v2 0)...

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Bibliographic Details
Published in:Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences physical, and engineering sciences, 1997-08, Vol.355 (1729), p.1623-1636
Main Author: Child, M. S.
Format: Article
Language:English
Subjects:
Autoionization
Bending
Cations
Coefficients
Empirical evidence
Ionization
Ions
Rotational spectra
Rotational states
Rydberg series
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Summary:Empirical quantum defect functions are fit to the vibrational origins of the known rotationally resolved bands of H2O and D2O, including new analyses for bands in the region of the 3d (100) clusters. Consolidation of the H2O and D2O data allows an extrapolation of the 3p (0 v2 0) 1B2and 3p (1 v2 0) 1B2 linear state bending progressions as a means of rationalizing known perturbations and predissociations in the 3d clusters and of estimating their influence on the higher nd series. A new vibronic mechanism for autoionization from the 3d b1 1B1 linear state vibrational progression is found to be in excellent agreement with the observed autoionization rate.
ISSN:1364-503X
1471-2962
DOI:10.1098/rsta.1997.0080