Triple 1D1D superatomic bonding. Au22(dppo)6 as a Π4- And Δ2-triply bonded cluster based on Au11 assembled units
MetadataShow full item record
δ-Bonds have been intimately related to metal-metal bonds of d-elements since the archetypal d4-d4 [Re2Cl8]2- ion with a σ2π4δ2 bond. Currently, the notion of multiple superatom arrangements as initial steps toward molecular materials within the building-up approach is dominated by P-shell characteristics, as given in the well-described Au25(SR)18 ligand protected cluster. In this work we rationalize the Au22(dppo)6 cluster as a triple-bonded 22-valence electron (ve) supermolecule, featuring a bonding scheme based on 1D + 1D shell combinations, which largely contrasts with the 14-ve Au38(SR)24 with mainly 1P + 1P patterns mimicking a F2 molecule. The resulting Π4Δ2-bonding pattern shows an unprecedented superatomic counterpart of a d-shell based bond inherently related to transition-metal dimers, adding useful key aspects to the understanding of species based on cluster-assembly. © 2020 the Owner Societies.
Showing items related by title, author, creator and subject.
Symmetry lowering by cage doping in spherical superatoms: Evaluation of electronic and optical properties of 18-electron W@Au 12 Pt n (n = 0-4) superatomic clusters from relativistic DFT calculations (2020) Gam F.; Arratia-Perez R.; Kahlal S.; Saillard J.-Y.; Muñoz-Castro A. (John Wiley and Sons Inc., 2019)
Bonding and properties of superatoms. Analogs to atoms and molecules and related concepts from superatomic clusters (2020) Tlahuice-Flores A.; Muñoz-Castro A. (John Wiley and Sons Inc., 2019)
Survey of short and long cuprophilic d10-d10 contacts for tetranuclear copper clusters. Understanding of bonding and ligand role from a planar superatom perspective (2020) Claveria-Cadiz F.; Arratia-Perez R.; Guajardo-Maturana R.; Muñoz-Castro A. (Royal Society of Chemistry, 2018)