TY - JOUR
T1 - Spontaneous breaking and re-making of the RS-Au-SR staple in self-assembled ethylthiolate/Au(111) interface
AU - Gao, Jianzhi
AU - Li, Fangsen
AU - Zhu, Gangqiang
AU - Yang, Zhibo
AU - Lu, Hongbing
AU - Lin, Haiping
AU - Li, Qing
AU - Li, Youyong
AU - Pan, Minghu
AU - Guo, Quanmin
PY - 2018/8/30
Y1 - 2018/8/30
N2 - The stability of the self-assembled RS–Au–SR (R = CH2CH3)/Au(111) interface at room temperature has been investigated using scanning tunneling microscopy (STM) in conjunction with density functional theory (DFT) and MD calculations. The RS–Au–SR staple, also known as Au-adatom-dithiolate, assembles into staple rows along the [112̅] direction. STM imaging reveals that while the staple rows are able to maintain a static global structure, individual staples within the row are subjected to constant breaking and remaking of the Au–SR bond. The C2S–Au–SC2/Au(111) interface is under a dynamic equilibrium and it is far from rigid. DFT/MD calculations show that a transient RS–Au–Au–SR complex can be formed when a free Au atom is added to the RS–Au–SR staple. The relatively high reactivity of the RS–Au–SR staple at room temperature could explain the reactivity of thiolate-protected Au nanoclusters, such as their ability to participate in ligand exchange and intercluster reactions.
AB - The stability of the self-assembled RS–Au–SR (R = CH2CH3)/Au(111) interface at room temperature has been investigated using scanning tunneling microscopy (STM) in conjunction with density functional theory (DFT) and MD calculations. The RS–Au–SR staple, also known as Au-adatom-dithiolate, assembles into staple rows along the [112̅] direction. STM imaging reveals that while the staple rows are able to maintain a static global structure, individual staples within the row are subjected to constant breaking and remaking of the Au–SR bond. The C2S–Au–SC2/Au(111) interface is under a dynamic equilibrium and it is far from rigid. DFT/MD calculations show that a transient RS–Au–Au–SR complex can be formed when a free Au atom is added to the RS–Au–SR staple. The relatively high reactivity of the RS–Au–SR staple at room temperature could explain the reactivity of thiolate-protected Au nanoclusters, such as their ability to participate in ligand exchange and intercluster reactions.
UR - https://www.scopus.com/pages/publications/85052292010
U2 - 10.1021/acs.jpcc.8b04157
DO - 10.1021/acs.jpcc.8b04157
M3 - Article
SN - 1932-7447
VL - 122
SP - 19473−19480
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
IS - 34
ER -