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• W2235061518 startingPage "2432" @default.
• W2235061518 abstract "Ligand-protected gold (Au-L) nanoclusters have attracted much attention due to their unique properties, and the superatom concept as a significantly well-known concept to explain the electronic stability was suggested. Although there has been a lot of major progress in this field, size evolution of the superatom is still little known because of limited experimental data. To give a direct and overall view of size evolution of the superatom in Au-L clusters, the Au2-(AuL)1–12 (L = Cl, SH, SCH3, PH2, P(CH3)2) system is taken as a test case. The global minimum geometries are studied by using a method combining the genetic algorithm with density functional theory. The gold cores in these structures consist of Au3, Au4, Au5, and Au6 2e-superatoms protected by staple motifs. The 2e-superatoms were confirmed by chemical bonding analysis using the adaptive natural density partitioning method. The aromatic properties of the center of these compounds have been explored by the nucleus-independent chemical shift method, which indicates that the superatoms are highly aromatic. This work gives a clear size evolution of the 2e-superatomic Au-L clusters with 1 to 12 ligands, which discovers the growth mechanism of Au-L clusters with different ligands." @default.
• W2235061518 created "2016-06-24" @default.
• W2235061518 creator A5024038403 @default.
• W2235061518 creator A5078198032 @default.
• W2235061518 date "2016-01-25" @default.
• W2235061518 modified "2023-10-10" @default.
• W2235061518 title "Size Evolution of the 2e-Superatom in Ligand-Protected Au Nanoclusters: Au₂-(AuL)_1–12 (L = Cl, SH, SCH₃, PH₂, and P(CH₃)₂)" @default.
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• W2235061518 doi "https://doi.org/10.1021/acs.jpcc.5b10612" @default.
• W2235061518 hasPublicationYear "2016" @default.
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