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Journal of Chemical Physics / Volume 135 / Issue 24 / ARTICLES / Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry

J. Chem. Phys. 135, 244306 (2011); http://dx.doi.org/10.1063/1.3672161 (7 pages)

Zero kinetic energy photoelectron spectroscopy of jet cooled benzo[a]pyrene from resonantly enhanced multiphoton ionization

Jie Zhang, Colin Harthcock, Fangyuan Han, and Wei Kong

Department of Chemistry, Oregon State University, Corvallis, Oregon 97331-4003, USA

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(Received 12 September 2011; accepted 5 December 2011; published online 28 December 2011)

We report zero kinetic energy (ZEKE) photoelectron spectroscopy of benzo[a]pyrene (BaP) via resonantly enhanced multiphoton ionization (REMPI). Our analysis concentrates on the vibrational modes of the first excited state (S1) and those of the ground cationic state (D0). Similar to pyrene, another peri-condensed polycyclic aromatic hydrocarbon we have investigated, the first two electronically excited states of BaP exhibit extensive configuration interactions. However, the two electronic states are of the same symmetry, hence vibronic coupling does not introduce any out-of-plane modes in the REMPI spectrum, and Franck-Condon analysis is qualitatively satisfactory. The ZEKE spectra from the in-plane modes observed in the REMPI spectrum demonstrate strong propensity in preserving the vibrational excitation of the intermediate state. Although several additional bands in combination with the vibrational mode of the intermediate state are identifiable, they are much lower in intensity. This observation implies that the molecular structure of BaP has a tremendous capability to accommodate changes in charge density. All observed bands of the cation are IR active, establishing the role of ZEKE spectroscopy in mapping out far infrared bands for astrophysical applications.

© 2011 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. EXPERIMENTAL SETUP
  3. RESULTS
    1. Two-color 1+1 ′ REMPI spectroscopy
    2. ZEKE spectroscopy
  4. DISCUSSION
  5. CONCLUSION

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KEYWORDS and PACS

Keywords

astrochemistry, configuration interactions, excited states, Franck-Condon factors, ground states, infrared spectra, molecular configurations, molecule-photon collisions, organic compounds, photoelectron spectra, photoionisation, vibrational states, vibronic states

PACS

  • 33.60.+q

    Photoelectron spectra

  • 33.20.Tp

    Vibrational analysis

  • 33.20.Wr

    Vibronic, rovibronic, and rotation-electron-spin interactions

  • 33.70.Ca

    Oscillator and band strengths, lifetimes, transition moments, and Franck-Condon factors

  • 33.80.Eh

    Autoionization, photoionization, and photodetachment

  • 95.30.Ft

    Molecular and chemical processes and interactions

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3672161

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
    H. S. Kim, D. R. Wagner, and R. J. Saykally, Phys. Rev. Lett. 86(25), 5691 (2001).

    J. Zhang, L. Pei, and W. Kong, J. Chem. Phys. 128(10), 104301 (2008)JCPSA6000128000010104301000001.

    C. M. Gittins, E. A. Rohlfing, and C. M. Rohlfing, J. Chem. Phys. 105(17), 7323 (1996)JCPSA6000105000017007323000001.

    M. Dierksen and S. Grimme, J. Chem. Phys. 120(8), 3544 (2004)JCPSA6000120000008003544000001.

    Y. He and W. Kong, J. Chem. Phys. 124(20), 204306 (2006)JCPSA6000124000020204306000001.

    Y. He, C. Wu, and W. Kong, J. Chem. Phys. 121(17), 8321 (2004)JCPSA6000121000017008321000001.

    Y. He, C. Wu, and W. Kong, J. Chem. Phys. 121(8), 3533 (2004)JCPSA6000121000008003533000001.


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