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The heteroleptic cuprous complex solvate<jats:italic>rac<\/jats:italic>-(acetonitrile-\u03ba<jats:italic>N<\/jats:italic>)(3-aminopyridine-\u03ba<jats:italic>N<\/jats:italic>)[2,2\u2032-bis(diphenylphosphanyl)-1,1\u2032-binaphthyl-\u03ba<jats:sup>2<\/jats:sup><jats:italic>P<\/jats:italic>,<jats:italic>P<\/jats:italic>\u2032]copper(I) hexafluoridophosphate dichloromethane monosolvate, [Cu(C<jats:sub>5<\/jats:sub>H<jats:sub>6<\/jats:sub>N<jats:sub>2<\/jats:sub>)(C<jats:sub>2<\/jats:sub>H<jats:sub>3<\/jats:sub>N)(C<jats:sub>44<\/jats:sub>H<jats:sub>32<\/jats:sub>P<jats:sub>2<\/jats:sub>)]PF<jats:sub>6<\/jats:sub>\u00b7CH<jats:sub>2<\/jats:sub>Cl<jats:sub>2<\/jats:sub>, conventionally abbreviated as [Cu(3-PyNH<jats:sub>2<\/jats:sub>)(CH<jats:sub>3<\/jats:sub>CN)(BINAP)]PF<jats:sub>6<\/jats:sub>\u00b7CH<jats:sub>2<\/jats:sub>Cl<jats:sub>2<\/jats:sub>, (<jats:bold>I<\/jats:bold>), where BINAP and 3-PyNH<jats:sub>2<\/jats:sub>represent 2,2\u2032-bis(diphenylphosphanyl)-1,1\u2032-binaphthyl and 3-aminopyridine, respectively, is described. In this complex solvate, the asymmetric unit consists of a cocrystallized dichloromethane molecule, a hexafluoridophosphate anion and a complete racemic heteroleptic cuprous complex cation in which the cuprous centre, in a tetrahedral CuP<jats:sub>2<\/jats:sub>N<jats:sub>2<\/jats:sub>coordination, is coordinated by two P atoms from the BINAP ligand, one N atom from the 3-PyNH<jats:sub>2<\/jats:sub>ligand and another N atom from a coordinated acetonitrile molecule. The UV\u2013Vis absorption and photoluminescence properties of this heteroleptic cuprous complex have been studied on polycrystalline powder samples, which had been verified by powder X-ray diffraction before recording the spectra. Time-dependent density functional theory (TD-DFT) calculations and a wavefunction analysis reveal that the orange\u2013yellow phosphorescence emission should originate from intra-ligand (BINAP) charge transfer mixed with a little of the metal-to-ligand charge transfer<jats:sup>3<\/jats:sup>(IL+ML)CT excited state.<\/jats:p>","DOI":"10.1107\/s2053229620000601","type":"journal-article","created":{"date-parts":[[2020,1,29]],"date-time":"2020-01-29T12:51:32Z","timestamp":1580302292000},"page":"177-185","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":9,"title":["A new heteroleptic phosphorescent cuprous complex supported by a BINAP ligand: synthesis, structure, luminescence properties and theoretical analyses"],"prefix":"10.1107","volume":"76","author":[{"given":"Dan-Dan","family":"Wang","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jian-Teng","family":"Wang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Li","family":"Song","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"You-Yu","family":"Wang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9462-373X","authenticated-orcid":true,"given":"Wen-Xiang","family":"Chai","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2020,1,29]]},"reference":[{"key":"ov3136_bb1","unstructured":"Armaroli, N., Accorsi, G., Cardinali, F. & Listorti, A. 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