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@ARTICLE{Allum:646068,
      author       = {Allum, Felix and Lam, Chow-shing and Erk, Benjamin and
                      Bromberger, Hubertus and Bucksbaum, Philip and Britton,
                      Mathew and Burt, Michael and Ekanayake, Nagitha and
                      Gabalski, Ian and Garg, Diksha and Gougoula, Eva and
                      Heathcote, David and Howard, Andrew and Hockett, Paul and
                      Holland, David and Kumar, Sonu and Lee, Jason Wai Lung and
                      McManus, Joseph and Mikosch, Jochen and Milesevic, Dennis
                      and Minns, Russell and Papadopoulou, Christina and Passow,
                      Christopher and Razmus, Weronika and Roeder, Anja and
                      Rolles, Daniel and Rouzée, Arnaud and Schuurman, Michael
                      and Pinto Simao, Alcides and Stolow, Albert and Noor,
                      Atia-Tul and Unwin, James and Vallance, Claire and Walmsley,
                      Tiffany and Brouard, Mark and Forbes, Ruaridh},
      title        = {{F}ragmentation dynamics of {CS}2 dications and trications
                      following {S} 2p ionization},
      journal      = {The journal of chemical physics},
      volume       = {164},
      number       = {2},
      issn         = {0021-9606},
      address      = {Melville, NY},
      publisher    = {American Institute of Physics},
      reportid     = {PUBDB-2026-00708},
      pages        = {024304},
      year         = {2026},
      abstract     = {We present the results from a detailed study of the
                      fragmentation dynamics of and, formed in intense femtosecond
                      soft x-ray pulses above the sulfur 2p edge, primarily
                      through single core photoionization from the S 2p site, and
                      subsequent Auger–Meitner decay(s). By combining
                      three-dimensional velocity map imaging with covariance
                      analysis, we determine the relative momenta of the ions
                      produced in each two- and three-body fragmentation channel,
                      at significantly higher ion count rates than conventional
                      coincidence measurements. We shed new light on the wide
                      range of fragmentation channels observed from the CS2
                      dication and trication, including channels that involve
                      ionization-induced bond formation and fragmentations
                      producing undetected neutral cofragments. In the latter
                      case, a “native frames” approach is used to isolate
                      contributions from concerted and sequential fragmentations
                      and extract dynamical information about each step of a
                      concerted fragmentation process. While dications often
                      fragment sequentially, the trication is dominated by
                      concerted fragmentation. The main trication fragmentation
                      channel into S+ + C+ + S+ can be well-approximated by
                      classical Coulombic simulations of the ground-state geometry
                      distribution, reflecting both the nature of the trication
                      potential energy surface and the rapid multiple ionization
                      prior to substantial structural dynamics. This study
                      demonstrates ways in which fundamental insights into the
                      fragmentation dynamics of polycations following x-ray
                      ionization may be extracted, which will be beneficial to
                      future studies that employ time-resolved x-ray Coulomb
                      explosion imaging to study ultrafast photochemistry.},
      cin          = {FS DOOR-User / FS-FLASH / FS-FLASH-O / FS-FLASH-D / FS-LA /
                      FS-CFEL-CMI / FS-SMP},
      ddc          = {530},
      cid          = {$I:(DE-H253)FS_DOOR-User-20241023$ /
                      I:(DE-H253)FS-FLASH-20140814 /
                      I:(DE-H253)FS-FLASH-O-20160930 /
                      I:(DE-H253)FS-FLASH-D-20160930 / I:(DE-H253)FS-LA-20130416 /
                      I:(DE-H253)FS-CFEL-CMI-20220405 /
                      I:(DE-H253)FS-SMP-20171124},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / 6G2 - FLASH (DESY) (POF4-6G2) / FS-Proposal:
                      F-20200773 (F-20200773) / CALIPSOplus - Convenient Access to
                      Light Sources Open to Innovation, Science and to the World
                      (730872)},
      pid          = {G:(DE-HGF)POF4-631 / G:(DE-HGF)POF4-6G2 /
                      G:(DE-H253)F-20200773 / G:(EU-Grant)730872},
      experiment   = {EXP:(DE-H253)F-BL1-20150101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1063/5.0304278},
      url          = {https://bib-pubdb1.desy.de/record/646068},
}