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@ARTICLE{Gabalski:589257,
      author       = {Gabalski, Ian and Allum, Felix and Seidu, Issaka and
                      Britton, Mathew and Brenner, Guenter and Bromberger,
                      Hubertus and Brouard, Mark and Bucksbaum, Philip and Burt,
                      Michael and Cryan, James and Driver, Taran and Ekanayake,
                      Nagitha and Erk, Benjamin and Garg, Diksha and Gougoula, Eva
                      and Heathcote, David and Hockett, Paul and Holland, David
                      and Howard, Andrew and Kumar, Sonu and Lee, Jason Wai Lung
                      and Li, Siqi and McManus, Joseph and Mikosch, Jochen and
                      Milesevic, Dennis and Minns, Russell and Neville, Simon and
                      Atia-Tul-Noor and Papadopoulou, Christina and Passow,
                      Christopher and Razmus, Weronika and Roeder, Anja and
                      Rouzee, Arnaud and Pinto Simao, Alcides and Unwin, James and
                      Vallance, Claire and Walmsley, Tiffany and Wang, Jun and
                      Rolles, Daniel and Stolow, Albert and Schuurman, Michael and
                      Forbes, Ruaridh},
      title        = {{T}ime-{R}esolved {X}-ray {P}hotoelectron {S}pectroscopy:
                      {U}ltrafast {D}ynamics in {CS}$_2$ {P}robed at the {S} 2p
                      {E}dge},
      journal      = {The journal of physical chemistry letters},
      volume       = {14},
      number       = {31},
      issn         = {1948-7185},
      address      = {Washington, DC},
      publisher    = {ACS},
      reportid     = {PUBDB-2023-05122},
      pages        = {7126 - 7133},
      year         = {2023},
      abstract     = {Recent developments in X-ray free-electron lasers have
                      enabled a novel site-selective probe of coupled nuclear and
                      electronic dynamics in photoexcited molecules, time-resolved
                      X-ray photoelectron spectroscopy (TRXPS). We present results
                      from a joint experimental and theoretical TRXPS study of the
                      well-characterized ultraviolet photodissociation of CS2, a
                      prototypical system for understanding non-adiabatic
                      dynamics. These results demonstrate that the sulfur 2p
                      binding energy is sensitive to changes in the nuclear
                      structure following photoexcitation, which ultimately leads
                      to dissociation into CS and S photoproducts. We are able to
                      assign the main X-ray spectroscopic features to the CS and S
                      products via comparison to a first-principles determination
                      of the TRXPS based on ab initio multiple-spawning
                      simulations. Our results demonstrate the use of TRXPS as a
                      local probe of complex ultrafast photodissociation dynamics
                      involving multimodal vibrational coupling, nonradiative
                      transitions between electronic states, and multiple final
                      product channels.},
      cin          = {DOOR ; HAS-User / FS-FLASH-O / FS-FLASH-D / FS-LA / FS-SMP
                      / FS-FLASH-B / FS-CFEL-CMI / UNI/CUI},
      ddc          = {530},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-FLASH-O-20160930 /
                      I:(DE-H253)FS-FLASH-D-20160930 / I:(DE-H253)FS-LA-20130416 /
                      I:(DE-H253)FS-SMP-20171124 / I:(DE-H253)FS-FLASH-B-20160930
                      / I:(DE-H253)FS-CFEL-CMI-20220405 /
                      $I:(DE-H253)UNI_CUI-20121230$},
      pnm          = {613 - Matter and Radiation from the Universe (POF4-613) /
                      6G2 - FLASH (DESY) (POF4-6G2) / FS-Proposal: F-20200773
                      (F-20200773)},
      pid          = {G:(DE-HGF)POF4-613 / G:(DE-HGF)POF4-6G2 /
                      G:(DE-H253)F-20200773},
      experiment   = {EXP:(DE-H253)F-BL1-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {37534743},
      UT           = {WOS:001042105300001},
      doi          = {10.1021/acs.jpclett.3c01447},
      url          = {https://bib-pubdb1.desy.de/record/589257},
}