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Progress of the Experimental and Theoretical Studies on Aum(SR)n Clusters

Progress in Chemistry ›› 2015, Vol. 27 ›› Issue (12) : 1743 -1753.

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Progress in Chemistry ›› 2015, Vol. 27 ›› Issue (12) : 1743-1753 DOI: 10.7536/PC150529
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Progress of the Experimental and Theoretical Studies on Aum(SR)n Clusters
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Abstract

Due to the special optical, electronic properties, particular physical/chemical properties, thiolate protected gold nanoclusters (Aum(SR)n, in which m and n are the numbers of Au and SR) have potential applications in nanocatalysis, biomedicine and optical devices. Two breakthroughs in Aum(SR)n clusters are the crystal structure determinations of Au102(SR)54 and Au25(SR)18- clusters, which uncover the new Au-S chemical bonding features as well as the new atomic packing structures in Aum(SR)n clusters. In this paper, major advances of the Aum(SR)n clusters in the experimentally determined crystal structures are generalized. This is followed by the introduction of the progresses in the experimentally synthesized Aum(SR)n clusters with mass spectroscopy and the progresses made by the density functional theory predictions. We combine our study subject to generalize superatom complex model, superatom-network model and super valence bond model which are used to interpret the stability and chemical bonding patterns of Aum(SR)n clusters. Moreover, we take several Aum(SR)n clusters as examples to introduce the applications of the three models. Finally, we give future outlook of the Aum(SR)n clusters.

Contents
1 Introduction
2 Experiments and theoretical predictions of Aum(SR)n clusters
2.1 Aum(SR)n clusters with single crystal structures
2.2 Aum(SR)n clusters with mass spectroscopy
2.3 Aum(SR)n clusters by DFT structural predictions
3 Theoretical models for Aum(SR)n clusters
3.1 Superatom complex (SAC) model
3.2 Superatom-network (SAN) model
3.3 Super valence bond (SVB) model
4 Conclusion and outlook

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Keywords

Aum(SR)n cluster / single crystal structure / mass spectroscopy / density functional theory method / superatom complex model / superatom-network model / super valence bond model

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Tian Zhimei, Liu Wangdan, Cheng Longjiu. Progress of the Experimental and Theoretical Studies on Aum(SR)n Clusters. Progress in Chemistry, 2015, 27(12): 1743-1753 DOI:10.7536/PC150529

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