Resonance-enhanced one- and two-photon ionization of water molecule: Preliminary analysis by multichannel quantum defect theory

Vrakking, M J.J.; Lee, Y T; Gilbert, R D; Child, M S

doi:10.1063/1.464224

Title: Resonance-enhanced one- and two-photon ionization of water molecule: Preliminary analysis by multichannel quantum defect theory

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Abstract

Experimental results are presented for one- and two-photon ionization of the water molecule, obtained using a near transform-limited xuv laser. The single-photon ionization results show rotationally resolved autoionizing resonances corresponding to members of Rydberg series ([ital nd][l arrow]1[ital b][sub 1]; [ital n]=6--11) converging on the H[sub 2]O[sup +](100) vibrational state. The two-color (1+1) multiphoton ionization results show rotationally resolved structure corresponding to Rydberg series ([ital nd][l arrow]1[ital b][sub 1]; [ital n][ge]6) converging on the H[sub 2]O[sup +](000) vibrational state. Typical linewidths below and above the H[sub 2]O[sup +](000) ionization threshold are 1 and 2 cm[sup [minus]1], respectively. The experimental results are simulated by multichannel quantum defect theory (MQDT). The main features in the spectrum are reproduced in a treatment of the rotational channel interactions with partial [ital l] mixing. It is argued that remaining discrepancies between experiment and theory arise from perturbative interactions between the ([ital nd][l arrow]1[ital b][sub 1]) levels and members of the ([ital nd][l arrow]3[ital a][sub 1]) Rydberg series. Also, it is argued that in the (1+1) multiphoton ionization spectra lines may be missing due to selective predissociation.

Authors:

Vrakking, M J.J.; Lee, Y T ^[1]; Gilbert, R D; Child, M S ^[2]

Chemical Sciences Division, Lawrence Berkeley Laboratory, and Department of Chemistry, University of California at Berkeley, Berkeley, California 94720 (United States)
Department of Theoretical Chemistry, University of Oxford, 5 South Parks Road, Oxford OX1 3UB (United Kingdom)

Publication Date:: Mon Feb 01 00:00:00 EST 1993

OSTI Identifier:: 6942092

DOE Contract Number:: AC03-76SF00098

Resource Type:: Journal Article

Journal Name:: Journal of Chemical Physics; (United States)

Additional Journal Information:: Journal Volume: 98:3; Journal ID: ISSN 0021-9606

Country of Publication:: United States

Language:: English

Subject:: 74 ATOMIC AND MOLECULAR PHYSICS; WATER; PHOTOIONIZATION; AUTOIONIZATION; EXTREME ULTRAVIOLET RADIATION; LASERS; MULTI-PHOTON PROCESSES; QUANTUM MECHANICS; RESOLUTION; RESONANCE; ROTATIONAL STATES; SIMULATION; VIBRATIONAL STATES; ELECTROMAGNETIC RADIATION; ENERGY LEVELS; EXCITED STATES; HYDROGEN COMPOUNDS; IONIZATION; MECHANICS; OXYGEN COMPOUNDS; RADIATIONS; ULTRAVIOLET RADIATION; 664200* - Spectra of Atoms & Molecules & their Interactions with Photons- (1992-)

Citation Formats


                    Vrakking, M J.J., Lee, Y T, Gilbert, R D, and Child, M S. Resonance-enhanced one- and two-photon ionization of water molecule: Preliminary analysis by multichannel quantum defect theory.  United States: N. p., 1993. 
        Web.  doi:10.1063/1.464224.

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                    Vrakking, M J.J., Lee, Y T, Gilbert, R D, & Child, M S. Resonance-enhanced one- and two-photon ionization of water molecule: Preliminary analysis by multichannel quantum defect theory.  United States.  https://doi.org/10.1063/1.464224

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                    Vrakking, M J.J., Lee, Y T, Gilbert, R D, and Child, M S. 1993.  
        "Resonance-enhanced one- and two-photon ionization of water molecule: Preliminary analysis by multichannel quantum defect theory".  United States.  https://doi.org/10.1063/1.464224.

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@article{osti_6942092,

  title        = {Resonance-enhanced one- and two-photon ionization of water molecule: Preliminary analysis by multichannel quantum defect theory},

  author       = {Vrakking, M J.J. and Lee, Y T and Gilbert, R D and Child, M S},

  abstractNote = {Experimental results are presented for one- and two-photon ionization of the water molecule, obtained using a near transform-limited xuv laser. The single-photon ionization results show rotationally resolved autoionizing resonances corresponding to members of Rydberg series ([ital nd][l arrow]1[ital b][sub 1]; [ital n]=6--11) converging on the H[sub 2]O[sup +](100) vibrational state. The two-color (1+1) multiphoton ionization results show rotationally resolved structure corresponding to Rydberg series ([ital nd][l arrow]1[ital b][sub 1]; [ital n][ge]6) converging on the H[sub 2]O[sup +](000) vibrational state. Typical linewidths below and above the H[sub 2]O[sup +](000) ionization threshold are 1 and 2 cm[sup [minus]1], respectively. The experimental results are simulated by multichannel quantum defect theory (MQDT). The main features in the spectrum are reproduced in a treatment of the rotational channel interactions with partial [ital l] mixing. It is argued that remaining discrepancies between experiment and theory arise from perturbative interactions between the ([ital nd][l arrow]1[ital b][sub 1]) levels and members of the ([ital nd][l arrow]3[ital a][sub 1]) Rydberg series. Also, it is argued that in the (1+1) multiphoton ionization spectra lines may be missing due to selective predissociation.},

  doi          = {10.1063/1.464224},

  url          = {https://www.osti.gov/biblio/6942092},
  journal      = {Journal of Chemical Physics; (United States)},

  issn         = {0021-9606},

  number       = ,

  volume       = 98:3,

  place        = {United States},

  year         = {Mon Feb 01 00:00:00 EST 1993},

  month        = {Mon Feb 01 00:00:00 EST 1993}

}

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