Structural, electronic and magnetic properties of copper(I) cubic clusters

Non‐Equilibrium Assembly of Atomically‐Precise Copper Nanoclusters

“…As a metallosupramolecular assembly, atomically‐precise copper nanoclusters (CuNCs) have garnered significant attention due to their cost‐effectiveness, well‐defined atom‐packing structures, and captivating optical properties. [ 11 ] CuNCs with various geometric structures have been achieved by adjusting the Cu(I)–ligand stoichiometric ratio under optimized conditions, including cubic, [ 12 ] penta‐capped trigonal prism, [ 9b,13 ] and cuboctahedron metal clusters. [ 14 ] Beyond the dynamic metal‐coordination bond, the mobilized metallophilic interactions among Cu(I) probably accelerate the reorganization/disassembly of CuNCs into daughter assemblies upon Cu(I)–ligand ratio change caused by Cu(I) oxidation.…”

Perfect cubic metallo-borospherenes TM8B6 (TM = Ni, Pd, Pt) as superatoms following the 18-electron rule

“…24 Transition metal (TM) clusters based on a TM 8 cube with twelve organic ligands on twelve edges have been extensively studied. [25][26][27] A three-dimensional aromatic C i Li 8 B 6 was proposed which contains eight Li-atoms on the eight triangular faces of a distorted B 6 octahedron. 28 Recently, a perfect cubic O h CBe 8 H 12 with an octa-coordinate carbon at the center was predicted at the DFT level as a superatom following a two-fold superatomic electron conguration (1S 2 1P 6 2S 2 2P 6 2D 10 2F 6 ).…”