Structure determination of gold clusters by trapped ion electron diffraction: Au14−–Au19−

Abstract

The structures of mass-selected gold cluster anions Au(14)(-)-Au(19)(-) have been reinvestigated using an improved low temperature trapped ion electron diffraction experiment. Structures were assigned by comparing experimental with simulated scattering functions using model structures obtained by density functional calculations. Flat three-dimensional structures are found for Au(14)(-) and Au(15)(-), hollow cages for Au(16)(-)-Au(18)(-) and a tetrahedral structure is found for Au(19)(-). For several clusters in this series, our assignments differ distinctly from previous assignments.

Fluxionality of gold nanoparticles investigated by Born-Oppenheimer molecular dynamics

“…7A shows the obtained particle shape (Cartesian Coordinates available as Auxiliary Material [69]). It should be noted that this particles shape corresponds to the lowest energy Au 14 particle found [71,81] and that therefore the MD is sampling the lowest energy basin for 3D Au 14 structures. Fig.…”

Determining the size-dependent structure of ligand-free gold-cluster ions

“…Consequently, the time appeared ripe for us to attempt more detailed structural probes of the bare goldcluster reference states. Below we describe the results, focusing primarily on the structures of singly positively and negatively charged gold clusters ranging in size of up to 20 atoms Gilb et al 2002Gilb et al , 2004Weis et al 2002b;Schweizer et al 2003;Neumaier et al 2005;Lechtken et al 2007Lechtken et al , 2008Lechtken et al , 2009Gloess et al 2008;Johansson et al 2008). At the same time, several other groups also worked on structural determination of gold clusters (in various charge states) using complementary/identical experimental methods.…”

Communication: Theoretical exploration of Au++H2, D2, and HD reactive collisions

“…6 Reactivity is intimately connected to the electronic structure and geometry of the cluster, and gold nanoparticles present a very interesting variety of forms, 7 such as nanowires, 8,9 planar (2d) clusters, [10][11][12] and cages. 13,14 The peculiar reactivity of gold is attributed to important relativistic effects, which makes the 6s and 5d orbitals become closer in energy than in other coinage atoms allowing efficient sd hybridization.…”