Identification of an eight-electron superatomic cluster and its alloy in one co-crystal structure

Jian-Hong Liao; Samia Kahlal; Yu-Chiao Liu; Ming-Hsi Chiang; Jean-Yves Saillard; C.W. Liu

doi:10.1007/s10876-018-1353-y

Identification of an eight-electron superatomic cluster and its alloy in one co-crystal structure

Jian-Hong Liao ¹ Samia Kahlal ² Yu-Chiao Liu ³ Ming-Hsi Chiang ³ Jean-Yves Saillard ² C.W. Liu ¹

1 NDHU - National Dong Hwa University

2 ISCR - Institut des Sciences Chimiques de Rennes

3 Institute of Chemistry

Abstract : Herein we report a crystal structure of [Au0.5Ag0.5@Ag20{S2P(OiPr)2}12](PF6) [Cl@Ag8{S2P(OiPr)2}6](PF6) (1), which compositions were supported by positive-mode electrospray ionization mass spectrometry. The structural elucidation indicates that the encapsulated atom of an Ag13 the entered icosahedron can be replaced by a gold atom. Surprisingly, the capping Ag atoms on the surface of an icosahedron in 1 reveal a different arrangement from the previously reported [Ag21{S2P(OiPr)2}12](PF6) of C3 symmetry. Besides, the preference for the central silver atom being oxidized by Au(I) is rationalized by the DFT calculations on three different computed [AuAg20{S2PH2}12]+ models having C1, C3, and T symmetry, respectively.

Keywords : co-crystallization superatoms alloys silver gold

Type de document :

Article dans une revue

Journal of Cluster Science, Springer Verlag, In press, 〈10.1007/s10876-018-1353-y〉

Domaine :

Chimie / Cristallographie

Chimie / Chimie inorganique

Liste complète des métadonnées

https://hal-univ-rennes1.archives-ouvertes.fr/hal-01874569
Contributeur : Laurent Jonchère <>
Soumis le : vendredi 14 septembre 2018 - 14:17:36
Dernière modification le : vendredi 16 novembre 2018 - 01:33:05

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Identification of an eight-electron superatomic cluster and its alloy in one co-crystal structure

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