% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Walter:1052,
      author       = {Walter, M. and Akola, J. and Lopez-Acevedo, O. and
                      Jadzinsky, P.D. and Calero, G. and Ackerson, C.J. and
                      Whetten, R.L. and Grönbeck, H. and Häkkinen, H.},
      title        = {{A} unified view of ligand-protected gold clusters as
                      superatom complexes},
      journal      = {Proceedings of the National Academy of Sciences of the
                      United States of America},
      volume       = {105},
      issn         = {0027-8424},
      address      = {Washington, DC},
      publisher    = {Academy},
      reportid     = {PreJuSER-1052},
      pages        = {9157 - 9162},
      year         = {2008},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Synthesis, characterization, and functionalization of
                      self-assembled, ligand-stabilized gold nanoparticles are
                      long-standing issues in the chemistry of nanomaterials.
                      Factors driving the thermodynamic stability of well
                      documented discrete sizes are largely unknown. Herein, we
                      provide a unified view of principles that underlie the
                      stability of particles protected by thiolate (SR) or
                      phosphine and halide (PR(3), X) ligands. The picture has
                      emerged from analysis of large-scale density functional
                      theory calculations of structurally characterized compounds,
                      namely Au(102)(SR)(44), Au(39)(PR(3))(14)X(6)(-),
                      Au(11)(PR(3))(7)X(3), and Au(13)(PR(3))(10)X(2)(3+), where X
                      is either a halogen or a thiolate. Attributable to a
                      compact, symmetric core and complete steric protection, each
                      compound has a filled spherical electronic shell and a major
                      energy gap to unoccupied states. Consequently, the
                      exceptional stability is best described by a "noble-gas
                      superatom" analogy. The explanatory power of this concept is
                      shown by its application to many monomeric and oligomeric
                      compounds of precisely known composition and structure, and
                      its predictive power is indicated through suggestions
                      offered for a series of anomalously stable cluster
                      compositions which are still awaiting a precise structure
                      determination.},
      keywords     = {J (WoSType)},
      cin          = {IAS-1 / IFF-1 / JARA-FIT},
      ddc          = {000},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)VDB781 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Multidisciplinary Sciences},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:18599443},
      pmc          = {pmc:PMC2442568},
      UT           = {WOS:000257645400007},
      doi          = {10.1073/pnas.0801001105},
      url          = {https://juser.fz-juelich.de/record/1052},
}