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

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.
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Journal of Cluster Science, Springer Verlag, inPress, 〈10.1007/s10876-018-1353-y〉
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01874569
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Soumis le : vendredi 14 septembre 2018 - 14:17:36
Dernière modification le : dimanche 16 septembre 2018 - 01:10:49

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Jian-Hong Liao, Samia Kahlal, Yu-Chiao Liu, Ming-Hsi Chiang, Jean-Yves Saillard, et al.. Identification of an eight-electron superatomic cluster and its alloy in one co-crystal structure. Journal of Cluster Science, Springer Verlag, inPress, 〈10.1007/s10876-018-1353-y〉. 〈hal-01874569〉

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