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This approach is useful for keeping track of the electrons, predicting chemical trends, and guiding syntheses. Experimental and quantum\u2010chemical results reveal a limit near +8 for the highest <jats:bold>OS<\/jats:bold> in stable neutral chemical substances under ambient conditions. <jats:bold>OS<\/jats:bold>=+9 was observed for the isolated [IrO<jats:sub>4<\/jats:sub>]<jats:sup>+<\/jats:sup> cation in vacuum. The prediction of <jats:bold>OS<\/jats:bold>=+10 for isolated [PtO<jats:sub>4<\/jats:sub>]<jats:sup>2+<\/jats:sup> cations is confirmed computationally for low temperatures only, but hasn't yet been experimentally verified. For high <jats:bold>OS<\/jats:bold> species, oxidation of the ligands, for example, of O<jats:sup>\u22122<\/jats:sup> with formation of <jats:sup>.<\/jats:sup>O<jats:sup>\u22121<\/jats:sup> and O\u2212O bonds, and partial reduction of the metal center may be favorable, possibly leading to non\u2010Lewis type structures.<\/jats:p>","DOI":"10.1002\/anie.201711450","type":"journal-article","created":{"date-parts":[[2018,1,4]],"date-time":"2018-01-04T14:59:59Z","timestamp":1515077999000},"page":"3242-3245","source":"Crossref","is-referenced-by-count":56,"title":["On the Upper Limits of Oxidation States in Chemistry"],"prefix":"10.1002","volume":"57","author":[{"given":"Shu\u2010Xian","family":"Hu","sequence":"first","affiliation":[{"name":"Key Laboratory of Organic Optoelectronics &amp; Molecular Engineering of the Ministry of Education Department of Chemistry Tsinghua University  Beijing 100084 China"},{"name":"Beijing Computer Science Research Center  Haidian Beijing 100193 China"}]},{"given":"Wan\u2010Lu","family":"Li","sequence":"additional","affiliation":[{"name":"Key Laboratory of Organic Optoelectronics &amp; Molecular Engineering of the Ministry of Education Department of Chemistry Tsinghua University  Beijing 100084 China"}]},{"given":"Jun\u2010Bo","family":"Lu","sequence":"additional","affiliation":[{"name":"Key Laboratory of Organic Optoelectronics &amp; Molecular Engineering of the Ministry of Education Department of Chemistry Tsinghua University  Beijing 100084 China"}]},{"given":"Junwei Lucas","family":"Bao","sequence":"additional","affiliation":[{"name":"Chemical Theory Center, Department of Chemistry, and Minnesota Supercomputing Institute University of Minnesota  Minneapolis MN 55455-0431 USA"}]},{"given":"Haoyu S.","family":"Yu","sequence":"additional","affiliation":[{"name":"Chemical Theory Center, Department of Chemistry, and Minnesota Supercomputing Institute University of Minnesota  Minneapolis MN 55455-0431 USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7742-7294","authenticated-orcid":false,"given":"Donald G.","family":"Truhlar","sequence":"additional","affiliation":[{"name":"Chemical Theory Center, Department of Chemistry, and Minnesota Supercomputing Institute University of Minnesota  Minneapolis MN 55455-0431 USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2107-5418","authenticated-orcid":false,"given":"John K.","family":"Gibson","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division Lawrence Berkeley National Laboratory  Berkeley CA 94720 USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7580-057X","authenticated-orcid":false,"given":"Joaquim","family":"Mar\u00e7alo","sequence":"additional","affiliation":[{"name":"Centro de Ci\u00eancias e Tecnologias Nucleares Instituto Superior T\u00e9cnico Universidade de Lisboa  2695-066 Bobadela LRS Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1915-6203","authenticated-orcid":false,"given":"Mingfei","family":"Zhou","sequence":"additional","affiliation":[{"name":"Department of Chemistry Fudan University  Shanghai 200433 China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4552-5719","authenticated-orcid":false,"given":"Sebastian","family":"Riedel","sequence":"additional","affiliation":[{"name":"Anorganische Chemie Institut f\u00fcr Chemie und Biochemie Freie Universit\u00e4t Berlin  14195 Berlin Germany"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8730-1508","authenticated-orcid":false,"given":"W. 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