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

Lee, M.-T. and Wang, Kwanghsi and McKoy, V. (1992) Rotationally resolved near-threshold photoionization of the 1b_1 valence orbital of H_2O and D_2O. Journal of Chemical Physics, 97 (5). pp. 3108-3114. ISSN 0021-9606. doi:10.1063/1.462998. https://resolver.caltech.edu/CaltechAUTHORS:20151028-114738076

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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.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.462998DOIArticle
http://scitation.aip.org/content/aip/journal/jcp/97/5/10.1063/1.462998PublisherArticle
Alternate Title:Rotationally resolved near-threshold photoionization of the 1b1 valence orbital of H2O and D2O
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.
Funders:
Funding AgencyGrant Number
NSFUNSPECIFIED
Air Force Office of Scientific Research (AFOSR)UNSPECIFIED
Department of Energy (DOE)UNSPECIFIED
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)UNSPECIFIED
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Caltech Arthur Amos Noyes Laboratory of Chemical Physics8606
Issue or Number:5
DOI:10.1063/1.462998
Record Number:CaltechAUTHORS:20151028-114738076
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20151028-114738076
Official Citation:Rotationally resolved near‐threshold photoionization of the 1b1 valence orbital of H2O and D2O Lee, M.‐T. and Wang, Kwanghsi and McKoy, V., The Journal of Chemical Physics, 97, 3108-3114 (1992), DOI:http://dx.doi.org/10.1063/1.462998
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:61668
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:28 Oct 2015 22:54
Last Modified:10 Nov 2021 22:52

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