{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,23]],"date-time":"2026-08-23T17:39:22Z","timestamp":1787506762644,"version":"build-2736575974"},"reference-count":21,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2017,12,7]],"date-time":"2017-12-07T00:00:00Z","timestamp":1512604800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Chemistry A European J"],"published-print":{"date-parts":[[2018,1,9]]},"abstract":"Abstract<\/jats:title>\n \n Inspired by the experimentally synthesized Na\n 12<\/jats:sub>\n @[(UO\n 2<\/jats:sub>\n )(O\n 2<\/jats:sub>\n )\n 1.5<\/jats:sub>\n ]\n 20<\/jats:sub>\n 8\u2212<\/jats:sup>\n (\u201cNa\n 12<\/jats:sub>\n @U\n 20<\/jats:sub>\n \u201d) cluster, we have explored computationally the substitution of the Na cations by many other metals. 6 other\n M<\/jats:italic>\n 12<\/jats:sub>\n @U\n 20<\/jats:sub>\n systems are found to be stable (\n M<\/jats:italic>\n =K\n +<\/jats:sup>\n , Rb\n +<\/jats:sup>\n , Cs\n +<\/jats:sup>\n , Ag\n +<\/jats:sup>\n , Mg\n 2+<\/jats:sup>\n , Fe\n 2+<\/jats:sup>\n ). For 3 of these (Mg\n 2+<\/jats:sup>\n , Ag\n +<\/jats:sup>\n and Na\n +<\/jats:sup>\n ), the cluster can support a group 16 dianion at its center, forming a new type of Matryoshka (\u201cRussian Doll\u201d) actinide nanocluster\n E<\/jats:italic>\n @\n M<\/jats:italic>\n 12<\/jats:sub>\n @U\n 20<\/jats:sub>\n (E=S\n 2\u2212<\/jats:sup>\n , Se\n 2\u2212<\/jats:sup>\n , Te\n 2\u2212<\/jats:sup>\n , and Po\n 2\u2212<\/jats:sup>\n ). These systems have 3\u2010shell, onion\u2010like geometries with nearly perfect\n \n I\n h<\/jats:sub>\n <\/jats:italic>\n symmetry. Seeking to create clusters with very high spin ground states, we have replaced\n M<\/jats:italic>\n by Mn\n 2+<\/jats:sup>\n and U\n 20<\/jats:sub>\n by Np\n 20<\/jats:sub>\n and Pu\n 20<\/jats:sub>\n , generating clusters with maximum possible\n S<\/jats:italic>\n values of 80\/2 and 100\/2 respectively. Only in the presence of a central S\n 2\u2212<\/jats:sup>\n , however, are these electronic configurations the most stable; the novel Matryoshka Pu nanocluster S@Mn\n 12<\/jats:sub>\n @Pu\n 20<\/jats:sub>\n is predicted to have the highest ground state spin yet reported for a molecular cluster.\n <\/jats:p>","DOI":"10.1002\/chem.201705196","type":"journal-article","created":{"date-parts":[[2017,11,29]],"date-time":"2017-11-29T12:10:05Z","timestamp":1511957405000},"page":"347-350","source":"Crossref","is-referenced-by-count":5,"title":["High Spin Ground States in Matryoshka Actinide Nanoclusters: A\u2009Computational Study"],"prefix":"10.1002","volume":"24","author":[{"given":"Han\u2010Shi","family":"Hu","sequence":"first","affiliation":[{"name":"School of Chemistry The University of Manchester Oxford Road Manchester M13 9PL UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0293-5742","authenticated-orcid":false,"given":"Nikolas","family":"Kaltsoyannis","sequence":"additional","affiliation":[{"name":"School of Chemistry The University of Manchester Oxford Road Manchester M13 9PL UK"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2017,12,7]]},"reference":[{"key":"e_1_2_2_1_1","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.585"},{"key":"e_1_2_2_2_1","doi-asserted-by":"publisher","DOI":"10.1038\/nmat2133"},{"key":"e_1_2_2_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/365141a0"},{"key":"e_1_2_2_4_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00114a012"},{"key":"e_1_2_2_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja992622u"},{"key":"e_1_2_2_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja0316824"},{"key":"e_1_2_2_7_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200601467"},{"key":"e_1_2_2_7_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.200601467"},{"key":"e_1_2_2_8_1","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms6955"},{"key":"e_1_2_2_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja907837u"},{"key":"e_1_2_2_10_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja2013449"},{"key":"e_1_2_2_11_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200805870"},{"key":"e_1_2_2_11_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.200805870"},{"key":"e_1_2_2_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr300159x"},{"key":"e_1_2_2_13_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1090259"},{"key":"e_1_2_2_14_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1119758109"},{"key":"e_1_2_2_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.5b00248"},{"key":"e_1_2_2_16_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1082342"},{"key":"e_1_2_2_17_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b12109"},{"key":"e_1_2_2_18_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja205934p"},{"key":"e_1_2_2_19_1","doi-asserted-by":"crossref","first-page":"6915","DOI":"10.1038\/srep06915","volume":"4","author":"Huang X.","year":"2014","journal-title":"Sci. Rep."}],"container-title":["Chemistry \u2013 A European Journal"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fchem.201705196","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/chem.201705196","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,12]],"date-time":"2025-10-12T09:42:52Z","timestamp":1760262172000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/chem.201705196"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,12,7]]},"references-count":21,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2018,1,9]]}},"alternative-id":["10.1002\/chem.201705196"],"URL":"https:\/\/doi.org\/10.1002\/chem.201705196","archive":["Portico"],"relation":{},"ISSN":["0947-6539","1521-3765"],"issn-type":[{"value":"0947-6539","type":"print"},{"value":"1521-3765","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017,12,7]]}}}