Au₁₀²⁺: A Tetrahedral Cluster Exhibiting Spherical Aromaticity

Abstract

We propose that the global minimum structure of the Au 10 2+

D6h‐Au42 Isomer: A Golden Aromatic Toroid Involving Superatomic π‐Orbitals that Follow the Hückel (4n+2)π rule

“…In this concern, gold chemistry exhibits interesting features owing to the influence of relativistic effects, [7][8][9][10][11][12] resulting in ap lethora of diverse structures such as the tetrahedral Au 20 and the proposed golden fullerenec onsisting of an Au 32 cage cluster. [13][14][15] Usually,g oldc lusters are prone to form highly symmetrical structures depicting inherente lectronic and geometricalc haracteristics. [11,[16][17][18][19] Clusters with specific size and valence electron count (vec), usually fulfill an electronic shell order with resemblance to isolatede lements, [20][21][22][23][24][25][26] andh ence can be regarded as superatoms.…”

Au102+ and Au6X42+ clusters: Superatomic molecules bearing an SP3-hybrid Au6core

“…In this connection, the octahedral Au 6 core has been shown to mimic an SP 3 ‐carbon in the tetrahedral [Au 6 {Ni 3 (μ‐CO) 3 (CO) 3 } 4 ] 2− cluster . We now expand such observations to the 8‐ ve cluster T d ‐[Au 10 ] 2+ , which also exhibits a Au 6 core capped with four gold atoms. Among different [Au 10 ] 2+ isomers, the tetrahedral geometry is preferred owing to both a 1s 2 1p 6 closed shell configuration and spherical aromaticity.…”

Symmetry lowering by cage doping in spherical superatoms: Evaluation of electronic and optical properties of 18‐electron W@Au12Ptn (n = 0‐4) superatomic clusters from relativistic DFT calculations

“…Gold chemistry possesses a rich structural diversity owing to the particular role of relativistic effects, resulting in unusual structures, highlighting the tetrahedral Au 20 cluster, and the hollow Au 32 cage cluster . Furthermore, the doping of heteroatoms into the gold skeletal structure allows us to modify the physical and chemical properties achieving the potential tune of the molecular properties, where the influence of a doping atom is of special importance to the field of catalysis …”

“…[7][8][9][10] The efficiency in catalysts for carbon monoxide oxidation unraveled for discrete clusters is a relevant example of the differences between the inert bulk and clusters with precise numbers of gold atoms. [11][12][13] The current synthetic control to achieve nanoparticles [14][15][16][17][18][19][20][21][22] with selected atomic precision provides valuable opportunities to gain deeper knowledge of the structure-property relationship at regimes involving a few metallic atoms.Gold chemistry possesses a rich structural diversity owing to the particular role of relativistic effects, [23][24][25][26][27][28] resulting in unusual structures, highlighting the tetrahedral Au 20 cluster, [29][30][31][32] and the hollow Au 32 cage cluster. [33][34][35] Furthermore, the doping of heteroatoms into the gold…”

“…Gold chemistry possesses a rich structural diversity owing to the particular role of relativistic effects, [23][24][25][26][27][28] resulting in unusual structures, highlighting the tetrahedral Au 20 cluster, [29][30][31][32] and the hollow Au 32 cage cluster. [33][34][35] Furthermore, the doping of heteroatoms into the gold…”