{"title":"Extending the Chevrel-type superatoms to nitrogen family","authors":"Ziyao Yang, Ning Du, Hongshan Chen","doi":"10.1039/d4cp03580a","DOIUrl":null,"url":null,"abstract":"Chevrel-type superatoms refer to the ligated transition metal chalcogenide clusters M<small><sub>6</sub></small>E<small><sub>8</sub></small>L<small><sub>6</sub></small>, where the octahedral M<small><sub>6</sub></small> is face-capped with cubic chalcogen E<small><sub>8</sub></small> (E=S/Se/Te). Most transition metals can form such superatoms and quite many organic and inorganic ligands can be substituted in solution reactions, and it makes these atomic precision species easily functionalized and their properties tunable. No test was reported for substituting the chalcogens with pnicogens in this class of materials. In this paper, we try to answer if such substitutions are possible. Combining different transition metals and ligands, theoretical computations show that [M<small><sub>6</sub></small>Q<small><sub>8</sub></small>(CN)<small><sub>6</sub></small>]<small><sup>2−</sup></small> (Q=P, As, Sb) for M=Co, Rh, Ir, and Ni, Pd, Pt have closed electronic shells and possess enhanced thermal and chemical stabilities. Analyses on the electronic structures indicate high similarities between the M-M and M-Q/M-S interactions in these species.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":null,"pages":null},"PeriodicalIF":2.9000,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Chemistry Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d4cp03580a","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Chevrel-type superatoms refer to the ligated transition metal chalcogenide clusters M6E8L6, where the octahedral M6 is face-capped with cubic chalcogen E8 (E=S/Se/Te). Most transition metals can form such superatoms and quite many organic and inorganic ligands can be substituted in solution reactions, and it makes these atomic precision species easily functionalized and their properties tunable. No test was reported for substituting the chalcogens with pnicogens in this class of materials. In this paper, we try to answer if such substitutions are possible. Combining different transition metals and ligands, theoretical computations show that [M6Q8(CN)6]2− (Q=P, As, Sb) for M=Co, Rh, Ir, and Ni, Pd, Pt have closed electronic shells and possess enhanced thermal and chemical stabilities. Analyses on the electronic structures indicate high similarities between the M-M and M-Q/M-S interactions in these species.
期刊介绍:
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