DOI: 10.1002/cphc.200600524. Size‐Dependent Structural Evolution and Chemical Reactivity of Gold Clusters

Size‐Dependent Structural Evolution and Chemical Reactivity of Gold Clusters

10.1002/cphc.200600524

Crossref journal-article

Wiley

ChemPhysChem (311)

Abstract

AbstractGround‐state structures and other experimentally relevant isomers of Au15− to Au24− clusters are determined through joint first‐principles density functional theory and photoelectron spectroscopy measurements. Subsequent calculations of molecular O2 adsorption to the optimal cluster structures reveal a size‐dependent reactivity pattern that agrees well with earlier experiments. A detailed analysis of the underlying electronic structure shows that the chemical reactivity of the gold cluster anions can be elucidated in terms of a partial‐jellium picture, where delocalized electrons occupying electronic shells move over the ionic skeleton, whose geometric structure is strongly influenced by the directional bonding associated with the highly localized “d‐band” electrons.

Bibliography

Yoon, B., Koskinen, P., Huber, B., Kostko, O., von Issendorff, B., HÃ¤kkinen, H., Moseler, M., & Landman, U. (2006). SizeâDependent Structural Evolution and Chemical Reactivity of Gold Clusters. ChemPhysChem, 8(1), 157â161. Portico.

Authors 8

Bokwon Yoon (first)
Pekka Koskinen (additional)
Bernd Huber (additional)
Oleg Kostko (additional)
Bernd von Issendorff (additional)
Hannu Häkkinen (additional)
Michael Moseler (additional)
Uzi Landman (additional)

References 39 Referenced 202

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Dates

Type	When
Created	18 years, 9 months ago (Nov. 28, 2006, 7:53 a.m.)
Deposited	1 year, 10 months ago (Oct. 9, 2023, 11:59 p.m.)
Indexed	12 minutes ago (Aug. 28, 2025, 8:33 p.m.)
Issued	18 years, 8 months ago (Dec. 27, 2006)
Published	18 years, 8 months ago (Dec. 27, 2006)
Published Online	18 years, 8 months ago (Dec. 27, 2006)
Published Print	18 years, 7 months ago (Jan. 8, 2007)

Funders 0

None

BibTeX

@article{Yoon_2006, title={Size‐Dependent Structural Evolution and Chemical Reactivity of Gold Clusters}, volume={8}, ISSN={1439-7641}, url={http://dx.doi.org/10.1002/cphc.200600524}, DOI={10.1002/cphc.200600524}, number={1}, journal={ChemPhysChem}, publisher={Wiley}, author={Yoon, Bokwon and Koskinen, Pekka and Huber, Bernd and Kostko, Oleg and von Issendorff, Bernd and Häkkinen, Hannu and Moseler, Michael and Landman, Uzi}, year={2006}, month=dec, pages={157–161} }

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