Get 20M+ Full-Text Papers For Less Than $1.50/day. Subscribe now for You or Your Team.

Learn More →

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

Gold-caged metal clusters with large HOMO-LUMO gap and high electron affinity. 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). http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of the American Chemical Society Pubmed

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

Journal of the American Chemical Society , Volume 127 (45): -15678 – Jan 25, 2006

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).

Loading next page...
 
/lp/pubmed/gold-caged-metal-clusters-with-large-homo-lumo-gap-and-high-electron-bHa80lDVjT

References

References for this paper are not available at this time. We will be adding them shortly, thank you for your patience.

ISSN
0002-7863
DOI
10.1021/ja055407o
pmid
16277491

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).

Journal

Journal of the American Chemical SocietyPubmed

Published: Jan 25, 2006

There are no references for this article.