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@ARTICLE{PulparayilMathew:622021,
      author       = {Pulparayil Mathew, Jikson and Seno, Carlotta and Jaiswal,
                      Mohit and Simms, Charlotte and Reichholf, Nico and Van den
                      Eynden, Dietger and Parac-Vogt, Tatjana N. and De Roo,
                      Jonathan},
      title        = {{T}he {C}entral {R}ole of {O}xo {C}lusters in
                      {Z}irconium‐{B}ased {E}sterification {C}atalysis},
      journal      = {Small science},
      volume       = {5},
      number       = {1},
      issn         = {2688-4046},
      address      = {Weinheim},
      publisher    = {Wiley-VCH GmbH},
      reportid     = {PUBDB-2025-00133},
      pages        = {2400369},
      year         = {2024},
      abstract     = {Oxo clusters are a unique link between oxide nanocrystals
                      and Metal-Organic Frameworks (MOFs), representing the limit
                      of downscaling each of the respective crystals. Herein, the
                      superior catalytic activity of clusters, compared to
                      zirconium MOF UiO-66 and nanocrystals is shown. Focus is on
                      esterification reactions given their general importance in
                      consumer products and the challenge of converting large
                      substrates. Oxo clusters have a higher surface-to-volume
                      ratio than nanocrystals, rendering them more active. For
                      large substrates, for example, oleic acid, MOF UiO-66 has
                      negligible catalytic activity while clusters provide almost
                      quantitative conversion, a fact we ascribe to limited
                      diffusion of large substrates through the MOF pores.
                      Clusters do not suffer from limited mass transfer and we
                      also obtain high conversion in solvent-free reactions with
                      sterically hindered alcohols (hexanol, 2-ethyl hexanol,
                      benzyl alcohol, and neopentyl alcohol). The cluster catalyst
                      can be recovered and shows identical activity when reused.
                      The structural integrity of the cluster is confirmed using
                      X-ray total scattering and pair distribution function
                      analysis. Moreover, when homogeneous zirconium alkoxides are
                      used as catalysts, the same oxo cluster is retrieved,
                      showing that oxo clusters are the active catalytic species,
                      even in previously assumed homogeneously catalyzed
                      reactions.},
      cin          = {FS DOOR-User},
      ddc          = {500},
      cid          = {$I:(DE-H253)FS_DOOR-User-20241023$},
      pnm          = {6G3 - PETRA III (DESY) (POF4-6G3) / FS-Proposal: I-20231114
                      EC (I-20231114-EC)},
      pid          = {G:(DE-HGF)POF4-6G3 / G:(DE-H253)I-20231114-EC},
      experiment   = {EXP:(DE-H253)P-P21.1-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {40212644},
      UT           = {WOS:001318139600001},
      doi          = {10.1002/smsc.202400369},
      url          = {https://bib-pubdb1.desy.de/record/622021},
}