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On the Structure of Thiolate-Protected Au25
Abstract
Density functional theory is used to explore the structure of Au25(RS)18. The preferred structure consists of an icosahedral Au13 core protected by 6 RS-Au-RS-Au-RS units. The enhanced stability of the structure as an anion is found to originate from closure of an eight-electron shell for delocalized Au(6s) electrons. The evaluated XRD pattern and optical spectra are in good agreement with experimental data.
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Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
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Gold Nanomaterials at Work in Biomedicine
Yang, X., Yang, M., Pang, B., Vara, M., & Xia, Y. (2015) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00193 · Cited by 1,162
Sub-nanometre sized metal clusters: from synthetic challenges to the unique property discoveries
Lu, Y., & Chen, W. (2012) · Chemical Society Reviews · doi:10.1039/c2cs15325d · Cited by 1,152
State of the art in gold nanoparticle synthesis
Zhao, P., Li, N., & Astruc, D. (2013) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2012.09.002 · Cited by 964
The Story of a Monodisperse Gold Nanoparticle: Au25L18
Parker, J. F., Fields-Zinna, C. A., & Murray, R. W. (2010) · Accounts of Chemical Research · doi:10.1021/ar100048c · Cited by 503
Theoretical Studies of Plasmonics using Electronic Structure Methods
Morton, S. M., Silverstein, D. W., & Jensen, L. (2011) · Chemical Reviews · doi:10.1021/cr100265f · Cited by 474
Metadata
- Authors
- Akola, J., Walter, M., Whetten, R. L., Häkkinen, H., & Grönbeck, H.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2008-03-01
- Volume
- 130
- Issue
- 12
- Pages
- 3756-3757
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2069807403
- Cited by
- 737
- References
- 1
- FWCI
- 30.48
- Type
- journal article
- Language
- en
- Open access
- closed
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- Akola, J., Walter, M., Whetten, R. L., Häkkinen, H., & Grönbeck, H. (2008). On the Structure of Thiolate-Protected Au25. Journal of the American Chemical Society. https://doi.org/10.1021/ja800594p
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
