Nanosized Pd145(CO)x(PEt3)30 Containing a Capped Three-Shell 145-Atom Metal-Core Geometry of Pseudo Icosahedral Symmetry

Syntheses, structures and properties of primarily nanosized homo/heterometallic palladium CO/PR 3 -ligated clusters

“…Two exceptional multi-shell clusters Pd 145 (CO) x (PEt 3 ) 30 , x ∼ 60 (Tran et al 2000b) and (m 12 -Pt)Pd 164−x Pt x (CO) 72 (PPh 3 ) 20 (x ∼ 7) (Mednikov et al 2007b) were isolated and their icosahedral multi-shell polyhedra unambiguously established by X-ray crystallography. The Pd 145 cluster was originally obtained from the reaction of Pd(PEt 3 ) 2 Cl 2 with Au(PPh 3 )Cl and later in higher yield • C. The similar geometries of the first three shells in these M 145 and M 165 clusters are composed of a centred icosahedron (m 12 -M)M 12 that is encapsulated by a 42-atom n 2 icosahedron, which in turn is surrounded by a 60-atom rhombicosidodecahedral cage (vide infra).…”

Collision-Induced Dissociation of Monolayer Protected Clusters Au144 and Au130 in an Electrospray Time-of-Flight Mass Spectrometer

“…These are not only among the best studied of the compositionally defined larger MPCs but also lie in the critical transition zone where metal-cluster properties become much more similar to the extended self-assembled monolayers (SAMs) formed on planar gold electrodes. 15 The larger cluster is understood to have a core structure based on the icosahedral Pd 145 crystal structure of Tran et al 25,26 The definite composition (144 Au atoms and 60 thiolate ligands) was suggested based on ESI-MS in 2008 by Chaki et al, 27 followed closely by more definitive reports of Fields-Zinna et al 28 as well as Qian and Jin. 29 The first complete structure model consistent with this composition was also reported in 2009; 30 this structure was refined 31 in 2013 to ensure I -symmetry compliance, in agreement with the NMR measurements 32 demonstrating the 60-fold symmetry equivalence of the ligand R-groups.…”

Confirmation of a de novo structure prediction for an atomically precise monolayer-coated silver nanoparticle

“…In general, a priori prediction of the structure of materials is a vexing problem ( 1 , 2 ) that presents major challenges in the exploration of novel materials. This problem is further exacerbated for nanoscale materials where structural motifs differing from those found in bulk matter tend to emerge ( 3 – 6 ). In particular, although determination of the molecular formulas of small metal nanoparticles is possible with electrospray mass spectrometry and other techniques, a validated general strategy for predicting the structures of molecular metal nanoparticles is not yet available.…”