[Ag<sub>9</sub>(1,2-BDT)<sub>6</sub>]<sup>3–</sup>: How Square-Pyramidal Building Blocks Self-Assemble into the Smallest Silver Nanocluster
Badriah Alamer, Megalamane S. Bootharaju, Sergey M. Kozlov, Zhen Cao, Aleksander Shkurenko, Saidkhodzha Nematulloev, Partha Maity, Omar F. Mohammed, Mohamed Eddaoudi, Luigi Cavallo, Jean‐Marie Basset, Osman M. Bakr
Abstract
skeleton. Steric hindrance and arrangement of the dithiolated ligands on the surface favor the formation of an anisotropic shape. Time-dependent density functional theory based calculations reproduce the experimental optical absorption features and identify the molecular orbitals responsible for the electronic transitions. Our findings will open new avenues for the design of novel single-digit metal NCs with directional self-assembled building blocks.
Topics & Concepts
ChemistryNanoclustersSquare pyramidal molecular geometryCrystallographySteric effectsMetalAtom (system on chip)Square pyramidElectronic structureNanotechnologyAtomic orbitalSingle crystalCrystal structureStereochemistryComputational chemistryPhysicsMaterials scienceEmbedded systemQuantum mechanicsComputer scienceOrganic chemistryElectronNanocluster Synthesis and ApplicationsGold and Silver Nanoparticles Synthesis and ApplicationsAdvanced Nanomaterials in Catalysis