Journal Articles Journal of Physical Chemistry Letters Year : 2017

MicroED Structure of Au 146 (p-MBA) 57 at Subatomic Resolution Reveals a Twinned FCC Cluster

Sandra Vergara
  • Function : Author
Dylan Lukes
  • Function : Author
Michael Martynowycz
  • Function : Author
Germán Plascencia-Villa
  • Function : Author
Simon Weiss
  • Function : Author
M. Jason de La Cruz
  • Function : Author
David Black
  • Function : Author
Marcos Alvarez
  • Function : Author
Christopher Barnes
  • Function : Author
Guowu Lin
  • Function : Author
Robert Whetten
Miguel Jose Yacaman
  • Function : Author
Guillermo Calero
  • Function : Author

Abstract

Solving the atomic structure of metallic clusters is fundamental to understanding their optical, electronic, and chemical properties. Herein we present the structure of the largest aqueous gold cluster, Au 146 (p-MBA) 57 (p-MBA: para-mercaptobenzoic acid), solved by electron diffraction (MicroED) to subatomic resolution (0.85 Å) and by X-ray diffraction at atomic resolution (1.3 Å). The 146 gold atoms may be decomposed into two constituent sets consisting of 119 core and 27 peripheral atoms. The core atoms are organized in a twinned FCC structure whereas the surface gold atoms follow a C 2 rotational symmetry about an axis bisecting the twinning plane. The protective layer of 57 p-MBAs fully encloses the cluster and comprises bridging, monomeric, and dimeric staple motifs. Au 146 (p-MBA) 57 is the largest cluster observed exhibiting a bulk-like FCC structure as well as the smallest gold particle exhibiting a stacking fault.
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Dates and versions

hal-01720306 , version 1 (07-05-2018)

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Sandra Vergara, Dylan Lukes, Michael Martynowycz, Ulises Santiago, Germán Plascencia-Villa, et al.. MicroED Structure of Au 146 (p-MBA) 57 at Subatomic Resolution Reveals a Twinned FCC Cluster. Journal of Physical Chemistry Letters, 2017, 8 (22), pp.5523 - 5530. ⟨10.1021/acs.jpclett.7b02621⟩. ⟨hal-01720306⟩
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