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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 31, 1976 - Issue 2
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Original Articles

Ro-vibronic structure in the photoelectron spectra of H2O, D2O and HDO

R.N. Dixon School of Chemistry, The University, Bristol, BS8 1TS, England
,
G. Duxbury School of Chemistry, The University, Bristol, BS8 1TS, England
,
J.W. Rabalais Department of Chemistry, University of Houston, Houston, Texas, 77004, U.S.A.
&
L. Åsbrink Physics Department, The Royal Institute of Technology, S-100 44, Stockholm 70, Sweden
Pages 423-435 | Received 06 Jul 1975, Published online: 23 Aug 2006
 
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Abstract

High resolution photoelectron spectra of H2O, D2O and HDO have been observed using He 584 Å excitation, and show partially resolved ro-vibronic structure. A comparison of the photoelectron spectra with optical spectra has been made, abd the 2 A 1 state of H2O+ is shown to have a linear conformation. A conflict between an earlier interpretation of the vibrational structure of the 2 B 2-1 A 1 spectrum and ab-initio calculations is resolved in terms of vibronic interaction between the 2 B 2 and 2 A 1 states, which can mix when the bond lengths become unequal.

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