{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T19:14:33Z","timestamp":1791314073086,"version":"4.3.1"},"reference-count":137,"publisher":"MDPI AG","issue":"11","license":[{"start":{"date-parts":[[2021,6,4]],"date-time":"2021-06-04T00:00:00Z","timestamp":1622764800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>We present an overview over eight brightly luminescent Cu(I) dimers of the type Cu2X2(P\u2229N)3 with X = Cl, Br, I and P\u2229N = 2-diphenylphosphino-pyridine (Ph2Ppy), 2-diphenylphosphino-pyrimidine (Ph2Ppym), 1-diphenylphosphino-isoquinoline (Ph2Piqn) including three new crystal structures (Cu2Br2(Ph2Ppy)3\u00a01-Br, Cu2I2(Ph2Ppym)3\u00a02-I and Cu2I2(Ph2Piqn)3\u00a03-I). However, we mainly focus on their photo-luminescence properties. All compounds exhibit combined thermally activated delayed fluorescence (TADF) and phosphorescence at ambient temperature. Emission color, decay time and quantum yield vary over large ranges. For deeper characterization, we select Cu2I2(Ph2Ppy)3, 1-I, showing a quantum yield of 81%. DFT and SOC-TDDFT calculations provide insight into the electronic structures of the singlet S1 and triplet T1 states. Both stem from metal+iodide-to-ligand charge transfer transitions. Evaluation of the emission decay dynamics, measured from 1.2 \u2264 T \u2264 300 K, gives \u2206E(S1-T1) = 380 cm\u22121 (47 meV), a transition rate of k(S1\u2192S0) = 2.25 \u00d7 106 s\u22121 (445 ns), T1 zero-field splittings, transition rates from the triplet substates and spin-lattice relaxation times. We also discuss the interplay of S1-TADF and T1-phosphorescence. The combined emission paths shorten the overall decay time. For OLED applications, utilization of both singlet and triplet harvesting can be highly favorable for improvement of the device performance.<\/jats:p>","DOI":"10.3390\/molecules26113415","type":"journal-article","created":{"date-parts":[[2021,6,4]],"date-time":"2021-06-04T11:12:13Z","timestamp":1622805133000},"page":"3415","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":24,"title":["P\u2229N Bridged Cu(I) Dimers Featuring Both TADF and Phosphorescence. From Overview towards Detailed Case Study of the Excited Singlet and Triplet States"],"prefix":"10.3390","volume":"26","author":[{"given":"Thomas","family":"Hofbeck","sequence":"first","affiliation":[{"name":"Institut f\u00fcr Physikalische Chemie, Universit\u00e4t Regensburg, D-93053 Regensburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9576-7658","authenticated-orcid":false,"given":"Thomas A.","family":"Niehaus","sequence":"additional","affiliation":[{"name":"Institut Lumi\u00e8re Mati\u00e8re, Univ Lyon, Universit\u00e9 Claude Bernard Lyon 1, CNRS, F-69622 Villeurbanne, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michel","family":"Fleck","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Mineralogie und Kristallographie, Geozentrum\u2014Universit\u00e4t Wien, Althanstr. 9, A-1090 Wien, Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0662-2866","authenticated-orcid":false,"given":"Uwe","family":"Monkowius","sequence":"additional","affiliation":[{"name":"School of Education, Chemistry, Johannes Kepler University Linz, Altenbergerstr. 69, A-4040 Linz, Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3216-1370","authenticated-orcid":false,"given":"Hartmut","family":"Yersin","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Physikalische Chemie, Universit\u00e4t Regensburg, D-93053 Regensburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2021,6,4]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"2902","DOI":"10.1063\/1.1727152","article-title":"Transients of volume-controlled current and of recombination radiation in anthracene","volume":"44","author":"Helfrich","year":"1966","journal-title":"J. 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