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@ARTICLE{Wang:599196,
      author       = {Wang, Enliang and Kling, Nora G and LaForge, Aaron C and
                      Obaid, Razib and Pathak, Shashank and Bhattacharyya,
                      Surjendu and Meister, Severin and Trost, Florian and
                      Lindenblatt, Hannes and Schoch, Patrizia and Kübel,
                      Matthias and Pfeifer, Thomas and Rudenko, Artem and
                      Díaz-Tendero, Sergio and Martín, Fernando and Moshammer,
                      Robert and Rolles, Daniel and Berrah, Nora},
      title        = {{U}ltrafast {R}oaming {M}echanisms in {E}thanol {P}robed by
                      {I}ntense {E}xtreme {U}ltraviolet {F}ree-{E}lectron {L}aser
                      {R}adiation: {E}lectron {T}ransfer versus {P}roton
                      {T}ransfer},
      journal      = {The journal of physical chemistry letters},
      volume       = {14},
      number       = {18},
      issn         = {1948-7185},
      address      = {Washington, DC},
      publisher    = {ACS},
      reportid     = {PUBDB-2023-07220},
      pages        = {4372 - 4380},
      year         = {2023},
      abstract     = {Ultrafast H$_2$$^+$ and H$_3$$^+$ formation from ethanol is
                      studied using pump-probe spectroscopy with an extreme
                      ultraviolet (XUV) free-electron laser. The first pulse
                      creates a dication, triggering H2 roaming that leads to
                      H$_2$$^+$ and H$_3$$^+$ formation, which is disruptively
                      probed by a second pulse. At photon energies of 28 and 32
                      eV, the ratio of H$_2$$^+$ to H$_3$$^+$ increases with time
                      delay, while it is flat at a photon energy of 70 eV. The
                      delay-dependent effect is ascribed to a competition between
                      electron and proton transfer. High-level quantum chemistry
                      calculations show a flat potential energy surface for H$_2$
                      formation, indicating that the intermediate state may have a
                      long lifetime. The ab initio molecular dynamics simulation
                      confirms that, in addition to the direct emission, a small
                      portion of H$_2$ undergoes a roaming mechanism that leads to
                      two competing pathways: electron transfer from H2 to
                      C$_2$H$_4$O$_2$$^+$ and proton transfer from
                      C$_2$H$_4$O$_2$$^+$ to H$_2$.},
      cin          = {DOOR ; HAS-User},
      ddc          = {530},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {6G2 - FLASH (DESY) (POF4-6G2) / FS-Proposal: F-20180563
                      (F-20180563)},
      pid          = {G:(DE-HGF)POF4-6G2 / G:(DE-H253)F-20180563},
      experiment   = {EXP:(DE-H253)F-FL26-20150901},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {37140167},
      UT           = {WOS:000985563500001},
      doi          = {10.1021/acs.jpclett.2c03764},
      url          = {https://bib-pubdb1.desy.de/record/599196},
}