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Site-selective photoemission from delocalized valence shells induced by molecular rotation

Author

Listed:
  • Catalin Miron

    (Synchrotron SOLEIL, L'Orme des Merisiers)

  • Quan Miao

    (Theoretical Chemistry and Biology, School of Biotechnology, KTH, Royal Institute of Technology
    Present address: College of Electronics, Communication and Physics, Shandong University of Science and Technology, Qingdao, 266590 Shandong, People's Republic of China)

  • Christophe Nicolas

    (Synchrotron SOLEIL, L'Orme des Merisiers)

  • John D. Bozek

    (SLAC National Accelerator Laboratory)

  • Witold Andrałojć

    (Synchrotron SOLEIL, L'Orme des Merisiers)

  • Minna Patanen

    (Synchrotron SOLEIL, L'Orme des Merisiers)

  • Grazieli Simões

    (Synchrotron SOLEIL, L'Orme des Merisiers
    Instituto de Química, Universidade Federal do Rio de Janeiro, Ilha do Fundão)

  • Oksana Travnikova

    (Synchrotron SOLEIL, L'Orme des Merisiers)

  • Hans Ågren

    (Theoretical Chemistry and Biology, School of Biotechnology, KTH, Royal Institute of Technology)

  • Faris Gel'mukhanov

    (Synchrotron SOLEIL, L'Orme des Merisiers
    Theoretical Chemistry and Biology, School of Biotechnology, KTH, Royal Institute of Technology)

Abstract

Due to the generally delocalized nature of molecular valence orbitals, valence-shell spectroscopies do not usually allow to specifically target a selected atom in a molecule. However, in X-ray electron spectroscopy, the photoelectron momentum is large and the recoil angular momentum transferred to the molecule is larger when the photoelectron is ejected from a light atom compared with a heavy one. This confers an extreme sensitivity of the rotational excitation to the ionization site. Here we show that, indeed, the use of high-energy photons to photoionize valence-shell electrons of hydrogen chloride offers an unexpected way to decrypt the atomic composition of the molecular orbitals due to the rotational dependence of the photoionization profiles. The analysis of the site-specific rotational envelopes allows us to disentangle the effects of the two main mechanisms of rotational excitation, based on angular momentum exchange between the molecule and either the incoming photon or the emitted electron.

Suggested Citation

  • Catalin Miron & Quan Miao & Christophe Nicolas & John D. Bozek & Witold Andrałojć & Minna Patanen & Grazieli Simões & Oksana Travnikova & Hans Ågren & Faris Gel'mukhanov, 2014. "Site-selective photoemission from delocalized valence shells induced by molecular rotation," Nature Communications, Nature, vol. 5(1), pages 1-5, September.
    • Handle: RePEc:nat:natcom:v:5:y:2014:i:1:d:10.1038_ncomms4816
    DOI: 10.1038/ncomms4816
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