Identification of an Eight-Electron Superatomic Cluster and Its Alloy in One Co-crystal Structure |
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| Authors: | Jian-Hong Liao Samia Kahlal Yu-Chiao Liu Ming-Hsi Chiang Jean-Yves Saillard C W Liu |
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| Institution: | 1.Department of Chemistry,National Dong Hwa University,Hualien,Taiwan, ROC;2.CNRS, ISCR - UMR 6226 “Sciences Chimiques de Rennes”,Université de Rennes 1,Rennes,France;3.Institute of Chemistry,Academia Sinica,Taipei 115,Taiwan, ROC |
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| 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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