biostudies-literatureMazumder AMinistry of Education of the People's Republic of ChinaScience and Technology Program of Hunan ProvinceNational Natural Science Foundation of ChinaCharles E. Kaufman Foundation21534-21543https://www.ebi.ac.uk/biostudies/studies/S-EPMC11328167biostudies-literatureUnknown18(32)The exploration of near-infrared photoluminescence (PL) from atomically precise nanoclusters is currently a prominent area of interest owing to its importance in both fundamental research and diverse applications. In this work, we investigate the near-infrared (NIR) photoluminescence mechanisms of two structural isomers of atomically precise gold nanoclusters of 28 atoms protected by cyclohexanethiolate (CHT) ligands, i.e., Au<sub>28i</sub>(CHT)<sub>20</sub> and Au<sub>28ii</sub>(CHT)<sub>20</sub>. Based on their structures, analysis of <sup>3</sup>O<sub>2</sub> (triplet oxygen) quenching of the nanocluster triplet states, temperature-dependent photophysical studies, and theoretical calculations, we have elucidated the intricate processes governing the photoluminescence of these isomeric nACS nanoIsomeric Effects of Au<sub>28</sub>(S-<i>c</i>-C<sub>6</sub>H<sub>11</sub>)<sub>20</sub> Nanoclusters on Photoluminescence: Roles of Electron-Vibration Coupling and Higher Triplet State.PMC11328167223730822023RC1055IRT_17R90Liu ZJin RPeteanu LAMazumder APei YLi KWang YfalseIsomeric Effects of Au<sub>28</sub>(S-<i>c</i>-C<sub>6</sub>H<sub>11</sub>)<sub>20</sub> Nanoclusters on Photoluminescence: Roles of Electron-Vibration Coupling and Higher Triplet State.The exploration of near-infrared photoluminescence (PL) from atomically precise nanoclusters is currently a prominent area of interest owing to its importance in both fundamental research and diverse applications. In this work, we investigate the near-infrared (NIR) photoluminescence mechanisms of two structural isomers of atomically precise gold nanoclusters of 28 atoms protected by cyclohexanethiolate (CHT) ligands, i.e., Au<sub>28i</sub>(CHT)<sub>20</sub> and Au<sub>28ii</sub>(CHT)<sub>20</sub>. Based on their structures, analysis of <sup>3</sup>O<sub>2</sub> (triplet oxygen) quenching of the nanocluster triplet states, temperature-dependent photophysical studies, and theoretical calculations, we have elucidated the intricate processes governing the photoluminescence of these isomeric n2024-01-01T00:00:00Z2024 Aug2025-05-18T13:30:10.109Z2024-10-18T19:30:54.521ZS-EPMC113281673909252510.1021/acsnano.4c06702