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 - 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.
UR - https://www.scopus.com/pages/publications/85034240102
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 -