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@ARTICLE{RosaDomingos:593053,
      author       = {Rosa Domingos, Sérgio Miguel and Tikhonov, Denis and
                      Steber, Amanda and Eschenbach, Patrick and Gruet, Sebastien
                      Patrice and Hrodmarsson, Helgi R. and Martin, Kévin and
                      Garcia, Gustavo A. and Nahon, Laurent and Neugebauer,
                      Johannes and Avarvari, Narcis and Schnell, Melanie},
      title        = {{E}volution of the ionisation energy with the stepwise
                      growth of the chiral clusters of [4]helicene},
      journal      = {Nature Communications},
      volume       = {15},
      number       = {1},
      issn         = {2041-1723},
      address      = {[London]},
      publisher    = {Nature Publishing Group UK},
      reportid     = {PUBDB-2023-05256},
      pages        = {4928},
      year         = {2024},
      abstract     = {We report on photoelectron-photoion coincidence (PEPICO)
                      spectroscopy experiments on [4]helicene performed with a
                      vacuum ultraviolet synchrotron beamline. Aggregates (up to
                      the heptamer) of [4]helicene, the smallest polycyclic
                      aromatic hydrocarbon with helical chirality, were produced
                      and investigated with a combined experimental and
                      theoretical approach using several state-of-the-art
                      quantum-chemical methodologies. The ionisation onsets are
                      extracted for each cluster size from the mass-selected
                      photoelectron spectra and compared with calculations of
                      vertical ionisation energies. We explore the complex
                      aggregation topologies emerging from the multitude of
                      isomers formed through clustering of P and M, the two
                      enantiomers of [4]helicene.The very satisfactory
                      benchmarking between experimental ionisation onsets vs.
                      predicted ionisation energies allows the identification of
                      theoretically predicted potential aggregation motifs and
                      corresponding energetic ordering of chiral clusters. Our
                      structural models suggest that a homochiral aggregation
                      route is energetically favoured over heterochiral
                      arrangements with increasing cluster size, hinting at
                      potential symmetry breaking in PAH cluster formation at the
                      scale of small grains.},
      cin          = {FS-SMP},
      ddc          = {500},
      cid          = {I:(DE-H253)FS-SMP-20171124},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / DFG project G:(GEPRIS)328961117 - SFB 1319:
                      Extremes Licht zur Analyse und Kontrolle molekularer
                      Chiralität (ELCH) (328961117) / GRK 2678 - GRK 2678:
                      Funktionelle pi-Systeme: Aktivierung, Wechselwirkungen und
                      Anwendungen (pi-Sys) (437785492)},
      pid          = {G:(DE-HGF)POF4-631 / G:(GEPRIS)328961117 /
                      G:(GEPRIS)437785492},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:38858352},
      UT           = {WOS:001244155400002},
      doi          = {10.1038/s41467-024-48778-0},
      url          = {https://bib-pubdb1.desy.de/record/593053},
}