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Photo-double ionization of hydrogen iodide: Experiment and theory

Lookup NU author(s): Faye Kemp, Dr Iain McNab

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Abstract

Photo-double ionization of hydrogen iodide has been investigated over the photon energy range 29.0-32.5 eV by threshold photoelectrons coincidence (TPEsCO) spectroscopy and by ab initio calculations that included spin-orbit interaction. Good agreement is found between experiment and theory for the adiabatic ionization potentials for the formation of the X3Σ -, a 1Δ and b1Σ+ states of HI2+ and for the vibrational separations and relative vibrational intensities within the states. The spin-orbit splitting of the X 3Σ- state of HI2+ is calculated to be 0.17924 eV for ν2+=0. Because this splitting is close to the calculated vibrational separations within the spin-orbit components of this state [e.g., for ν2+=0-1, 0.22382 eV in 3Σ 0- and 0.22163 eV in 3Σ1-], there is an overlapping of vibrational structure within the TPEsCO spectrum at the resolution used that is confirmed by the simulation spectrum. © 2004 Elsevier B.V. All rights reserved.

Publication metadata

Author(s): Yencha AJ, Juarez AM, Lee SP, King GC, Bennett FR, Kemp F, McNab IR

Publication type: Article

Publication status: Published

Journal: Chemical Physics

Year: 2004

Volume: 303

Issue: 1-2

Pages: 179-187

ISSN (print): 0301-0104

ISSN (electronic): 1873-4421

Publisher: Elsevier

URL: http://dx.doi.org/10.1016/j.chemphys.2004.05.011

DOI: 10.1016/j.chemphys.2004.05.011

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