Interplay of structural and electronic stabilizing factors in neutral and cationic phosphine protected Au13 clusters

Stibine-protected Au13nanoclusters: syntheses, properties and facile conversion to GSH-protected Au25nanocluster

“…Although the Au 13 cluster core is expected to be thermodynamically stable due to its closed-shell geometry,10 the synthesis of monodispersed Au 13 clusters remains a challenge. Most of the studies have been on those protected by diphosphines as they exhibit higher thermodynamic stability arising from the chelating effect of the diphosphine 4 d .…”

Chiral–Achiral Ligand Synergy in Enhancing the Chiroptical Activity of Diphosphine-Protected Au13 Clusters

“…In phosphine-protected small Au clusters, the general preference of centered polyhedral core geometries has been found, and in Au 13 clusters such as [Au 13 (Dppp) 4 Cl 4 ] + or [Au 13 (Dppe) 5 Cl 5 ], highly symmetric icosahedral skeletal core structures have been established. , The stability of the icosahedral Au 13 skeletal geometry is interpreted by that of a closed shell structure based on the superatom concept under the spherical potential field of Au 13 5+ . Therefore, to explore how the bidentate phosphines influence the core geometry and the HCM value for the ligated Au 13 clusters, quantum chemical calculations were performed for some model clusters possessing axially chiral S -DP ( S -conformer of PH 2 –CH 2 –CH 2 –CH 2 –CH 2 –PH 2 ; model of S , S -DIOP) and XP (PH 2 –CHCH–O–CHCH–PH 2 ; model of Xantphos), as the validity of Au cluster calculations in reducing the size of the phosphine ligands has been proved. , In particular, we focus on the Au 13 skeletal core structures with three S -DP, one XP, and four Cl atoms (=[Au 13 ( S -DP) 3 (XP) 1 Cl 4 ] + ).…”

Synthesis and characterization of fluorescent gold nanoclusters

“…Renal et al reported that the grafting of one ligand on a neutral cluster did not significantly modify the HOMO-LUMO gap comparing to the case of the bare cluster. [18,19] The correlations between AuNCs sizes and transition energies are fully described by equation: ΔE emission = E fermi /N 1/3 . [3] According to this relation, we can determine the average gold atom number N formed the AuNCs in these AuNCs solutions varying from 12±1 to 15±1 gold atoms corresponding to the increase of NaOH concentration from 8.3 to 11.0 mM.…”