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@ARTICLE{Li:452549,
      author       = {Li, Weixing and Quesada Moreno, Maria del Mar and Pinacho
                      Morante, Pablo and Schnell, Melanie},
      title        = {{U}nlocking the {W}ater {T}rimer {L}oop: {I}sotpic {S}tudy
                      of {B}enzophenone-$({H}_{2}{O})_{1-3}$ {C}lusters with
                      {R}otational {S}pectroscopy},
      journal      = {Angewandte Chemie / International edition},
      volume       = {60},
      number       = {10},
      issn         = {0570-0833},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {PUBDB-2020-04749},
      pages        = {5323 – 5330},
      year         = {2021},
      abstract     = {Examined here are the structures of complexes of
                      benzophenone microsolvated with up to three water molecules
                      by using broadband rotational spectroscopy and the cold
                      conditions of a molecular jet. The analysis shows that the
                      water molecules dock sideways on benzophenone for the water
                      monomer and dimer moieties, and they move above one of the
                      aromatic rings when the water cluster grows to the trimer.
                      The rotational spectra shows that the water trimer moiety in
                      the complex adopts an open-loop arrangement .Ab initio
                      calculations face a dilemma of identifying the global
                      minimum between the open loop and the closed loop, which is
                      only solved when zero-point vibrational energy correction is
                      applied. An OH···p bond and a Bürgi-Dunitz interaction
                      between benzophenone and the water trimer are present in the
                      cluster. This work shows the subtle balance between
                      water–water and water–solute interactions when the
                      solute molecule offers several different anchor sites for
                      water molecules.},
      cin          = {FS-SMP},
      ddc          = {540},
      cid          = {I:(DE-H253)FS-SMP-20171124},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / DFG project 271359857 - Intra- und
                      untermolekulare Dispersionskräfte: Beiträge zum
                      Verständnis von Komplexbildung, Aggregation und dem Effekt
                      der Solvatisierung mit Hilfe eines bottom-up Ansatzes
                      (271359857)},
      pid          = {G:(DE-HGF)POF4-631 / G:(GEPRIS)271359857},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:33289239},
      UT           = {WOS:000611117100001},
      doi          = {10.1002/anie.202013899},
      url          = {https://bib-pubdb1.desy.de/record/452549},
}