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Literature DB >> 16277491

Gold-caged metal clusters with large HOMO-LUMO gap and high electron affinity.

Abstract

We report a series of isoelectronic gold-caged metal clusters, M@Au14 (M = Zr, Hf), and anion clusters, M@Au14- (M = Sc, Y), all having a calculated HOMO-LUMO gap larger than the well-known tetrahedral cluster Au20-the 3D metal cluster with a very large measured HOMO-LUMO gap (1.77 eV). The clusters M@Au14 (M = Sc, Y) also exhibit a calculated electron affinity (EA) and vertical detachment energy (VDE) not only higher than the "superhalogen" icosahedral Al13 cluster but also possibly even higher than a Cl atom which has the highest (measured) elemental EA or VDE (3.61 eV).

Entities: Chemical Disease

Year: 2005 PMID： 16277491 DOI： 10.1021/ja055407o

Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419

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Cited

6 in total

Gold-caged metal clusters with large HOMO-LUMO gap and high electron affinity.

1. Evidence of hollow golden cages.

2. Structures and Stabilities of the Metal Doped Gold Nano-Clusters: M@Au₁₀ (M = W, Mo, Ru, Co).

3. Structural and electronic properties of uranium-encapsulated Au₁₄ cage.

4. Structural exploration of Au _x M^- (M = Si, Ge, Sn; x = 9-12) clusters with a revised genetic algorithm.

5. Insights into Charge Transfer at an Atomically Precise Nanocluster/Semiconductor Interface.

6. Greatly Enhanced Electron Affinities of Au_2n Cl Clusters (n = 1-4): Effects of Chlorine Doping.

Gold-caged metal clusters with large HOMO-LUMO gap and high electron affinity.

1. Evidence of hollow golden cages.

2. Structures and Stabilities of the Metal Doped Gold Nano-Clusters: M@Au10 (M = W, Mo, Ru, Co).

3. Structural and electronic properties of uranium-encapsulated Au₁₄ cage.

4. Structural exploration of Au x M- (M = Si, Ge, Sn; x = 9-12) clusters with a revised genetic algorithm.

5. Insights into Charge Transfer at an Atomically Precise Nanocluster/Semiconductor Interface.

6. Greatly Enhanced Electron Affinities of Au2n Cl Clusters (n = 1-4): Effects of Chlorine Doping.

2. Structures and Stabilities of the Metal Doped Gold Nano-Clusters: M@Au₁₀ (M = W, Mo, Ru, Co).

4. Structural exploration of Au _x M^- (M = Si, Ge, Sn; x = 9-12) clusters with a revised genetic algorithm.

6. Greatly Enhanced Electron Affinities of Au_2n Cl Clusters (n = 1-4): Effects of Chlorine Doping.