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Published September 1, 1992 | Published
Journal Article Open

Rotationally resolved near-threshold photoionization of the 1b_1 valence orbital of H_2O and D_2O

Abstract

Results of theoretical studies of rotationally resolved ion distributions for near‐threshold photoionization of the 1b_1 valence orbital of H_2O and D_2O are reported and compared with measured spectra. Agreement between the calculated and measured spectra is very encouraging. The calculated and measured spectra reveal both type a and type c transitions in contrast to type c transitions only expected in an atomiclike picture. Type a transitions arise from odd (mainly p wave) angular momentum components of the photoelectron matrix elements which are due to l mixing in the electronic continua. These type a transitions are quite molecular in origin and are similar to nonatomiclike transitions seen in resonance enhanced multiphoton ionization of excited states of diatomic molecules. Useful rotational selection rules are also obtained.

Additional Information

© 1992 American Institute of Physics. (Received 10 April 1992; accepted 11 May 1992) This work was supported by grants from the National Science Foundation, Air Force Office of Scientific Research, and the Office of Health and Environmental Research of the U.S. Department of Energy. We also acknowledge use of resources of the Jet Propulsion Laboratory/Caltech CRAY Y-MP2E/116 Supercomputer. One of us (M. T. L.) thanks the Conselho Nacional de Desenvolvimento Cientlfico e Tecnológico (CNPq, Brazil) for financial support.

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August 20, 2023
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