Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 138, Issue 12, Pages 4046-4052Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jacs.5b11768
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Funding
- Natural Science Foundation of China [21573037, 11274136, 11534003]
- Changjiang Scholars Program of China
- Postdoctoral Science Foundation of China [2013M541283]
- Natural Science Foundation of Jilin Province [20150101042JC]
- Department of Education, Universities and Research of the Basque Government
- University of the Basque Country [IT756-13]
- Ministerio de Economia y Competitividad [FIS2013-48286-C2-1-P, FIS2013-48286-C2-2-P]
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The negative oxidation state of gold (Au) has drawn a great attention due to its unusual valence state that induces exotic properties in its compounds, including ferroelectricity and electronic polarization. Although monatomic anionic gold (Au) has been reported, a higher negative oxidation state of Au has not been observed yet. Here we propose that high pressure becomes a controllable method for preparing high negative oxidation state of Au through its reaction with lithium. First-principles calculations in combination with swarm structural searches disclosed chemical reactions between At and Li at high pressure, where stable Li-rich aurides with unexpected stoichiometries (e.g., Li4Au and Li5Au) emerge. These compounds,exhibit intriguing structural features like Au-centered polyhedrons and a graphene-like Li sublattice, where each Au gains more than one electron donated by Li and acts as a 6p-element: The high negative oxidation state of Au has also been achieved through its reactions with other alkali metals (e.g., Cs) under pressures. Our work provides a useful strategy for achieving diverse Au anions.
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