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DFT calculations show that the statistical disorder results from the nearly neutral preference of copper to occupy any of the eight outer positions. Surprisingly, the UV\u2013Vis absorption spectra of the M20 and M21 bimetallic nanoclusters display an almost identical absorption profile as that of their homometallic [Ag20{S2P(OiPr)2}12] and [Ag21{S2P(OiPr)2}12]+ relatives. This is rationalized by TD-DFT calculations, which show that the frontier orbitals of such eight-electron alloys are largely independent from the nature of the capping metal ions. A blue-shifted absorption is observed upon replacing by Au the central Ag atom in 2, forming the trimetallic compound [Cu4AuAg16{S2P(OiPr)2}12](PF6) (3).<\/jats:p>","DOI":"10.1063\/5.0059305","type":"journal-article","created":{"date-parts":[[2021,7,16]],"date-time":"2021-07-16T09:55:46Z","timestamp":1626429346000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":16,"title":["Doping effect on the structure and properties of eight-electron silver nanoclusters"],"prefix":"10.1063","volume":"155","author":[{"given":"Yu-Jie","family":"Zhong","sequence":"first","affiliation":[{"name":"Department of Chemistry, National Dong Hwa University 1 , Hualien 974301, Taiwan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jian-Hong","family":"Liao","sequence":"additional","affiliation":[{"name":"Department of Chemistry, National Dong Hwa University 1 , Hualien 974301, Taiwan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tzu-Hao","family":"Chiu","sequence":"additional","affiliation":[{"name":"Department of Chemistry, National Dong Hwa University 1 , Hualien 974301, Taiwan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Franck","family":"Gam","sequence":"additional","affiliation":[{"name":"Univ Rennes CNRS, ISCR-UMR 6226 2 , F-35000 Rennes, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Samia","family":"Kahlal","sequence":"additional","affiliation":[{"name":"Univ Rennes CNRS, ISCR-UMR 6226 2 , F-35000 Rennes, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4469-7922","authenticated-orcid":false,"given":"Jean-Yves","family":"Saillard","sequence":"additional","affiliation":[{"name":"Univ Rennes CNRS, ISCR-UMR 6226 2 , F-35000 Rennes, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0801-6499","authenticated-orcid":false,"given":"C. 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