TY - JOUR
T1 - MicroED Structure of Au146(p-MBA)57 at Subatomic Resolution Reveals a Twinned FCC Cluster
AU - Vergara, Sandra
AU - Lukes, Dylan A.
AU - Martynowycz, Michael W.
AU - Santiago, Ulises
AU - Plascencia-Villa, Germán
AU - Weiss, Simon C.
AU - De La Cruz, M. Jason
AU - Black, David M.
AU - Alvarez, Marcos M.
AU - López-Lozano, Xochitl
AU - Barnes, Christopher O.
AU - Lin, Guowu
AU - Weissker, Hans Christian
AU - Whetten, Robert L.
AU - Gonen, Tamir
AU - Yacaman, Miguel Jose
AU - Calero, Guillermo
N1 - Funding Information:
We acknowledge May Elizabeth Sharp and Meitan Wang at the Swiss Light Source (SLS), Michael Becker and Craig Ogata at GM/CA (Argonne National Laboratory), and John Chrzas and Rod Salazar at the South East Regional Collaborative Access Team (SERCAT, Argonne National Laboratory). We acknowledge Aina Cohen and Jinhu Song from the Macromolecular Femtosecond Crystallography (MFX) at the Linac Coherent Light Source (LCLS) for their support during data collection. We thank D. Lee for home-source X-ray technical support at the University of Pittsburgh. Research reported in this publication was supported by the National Institute on Minority Health and Health Disparities (NIMHD) of the National Institutes of Health (#G12-MD007591) and by The Welch Foundation grants #AX-1615 and #AX-1857. G.C. acknowledges University of Pittsburgh startup funds and support from NIH grants P50-GM082251, R01-GM112686, and BioXFEL-STC1231306. GM/CA@aps has been funded in whole or in part with Federal funds from the National Cancer Institute (ACB-12002) and the National Institute of General Medical Sciences (AGM-12006). Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. W-31-109-Eng-38. Use of the Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The Gonen laboratory is supported by the Howard Hughes Medical Institute, and this work was also supported by the Janelia Research Campus visitor program. The contents of this publication are solely the responsibility of the authors and do not necessarily represent the official views of NIGMS or NIH.
Publisher Copyright:
© 2017 American Chemical Society.
PY - 2017/11/16
Y1 - 2017/11/16
N2 - 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, Au146(p-MBA)57 (p-MBA: para-mercaptobenzoic acid), solved by electron micro-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 C2 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. Au146(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.
AB - 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, Au146(p-MBA)57 (p-MBA: para-mercaptobenzoic acid), solved by electron micro-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 C2 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. Au146(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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U2 - 10.1021/acs.jpclett.7b02621
DO - 10.1021/acs.jpclett.7b02621
M3 - Article
C2 - 29072840
AN - SCOPUS:85034240102
SN - 1948-7185
VL - 8
SP - 5523
EP - 5530
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 22
ER -