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We studied the photophysical properties of a few hot\u2010exciton molecules based on an anthracene core unit to efficiently harvest all triplet excitons to the lowest excited singlet state. The conversion of triplet exciton to singlet exciton utilizing hRISC can be enhanced due to the <jats:sup>1<\/jats:sup>\u03c0\u03c0*\u2190<jats:sup>3<\/jats:sup><jats:italic>n<\/jats:italic>\u03c0* transition channel. The energy gap between the excited singlet and triplet excited states, spin\u2010orbit coupling interaction, nature of excited states, rate constants of reverse intersystem crossing, and radiative process were calculated and analyzed to gain more insights into the hot\u2010exciton mechanism. Additionally, we extended our study by substituting groups in the diphenyl anthracene core unit to find improved performance. We found that the combinations of triphenylamine (TPA) or 9\u2010phenyl\u20109H\u2010carbazole (CZP) acting as the electron donor, benzophenone as the acceptor, and the anthracene as the \u03c0\u2010bridge is the most efficient hot\u2010exciton emitter for improved OLED lighting application technology.<\/jats:p>","DOI":"10.1002\/asia.202401394","type":"journal-article","created":{"date-parts":[[2025,1,13]],"date-time":"2025-01-13T09:10:58Z","timestamp":1736759458000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Hot\u2010Exciton Mechanism with Diphenyl Anthracene Core Unit: A Detailed Theoretical Study"],"prefix":"10.1002","volume":"20","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8542-2904","authenticated-orcid":false,"given":"Pandiyan","family":"Sivasakthi","sequence":"first","affiliation":[{"name":"Department of Chemistry Birla Institute of Technology and Science (BITS) Pilani, Hyderabad Campus  Hyderabad 500078 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1926-7720","authenticated-orcid":false,"given":"Pralok K.","family":"Samanta","sequence":"additional","affiliation":[{"name":"Department of Chemistry Birla Institute of Technology and Science (BITS) Pilani, Hyderabad Campus  Hyderabad 500078 India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,1,22]]},"reference":[{"key":"e_1_2_8_1_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202005630"},{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.joc.1c02784"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.dyepig.2022.111037"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202100161"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c08824"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.2c07055"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41566-021-00870-3"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.dyepig.2023.111171"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1109\/TED.2017.2647964"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1021\/cm0495717"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1117\/1.JPE.6.020901"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1002\/adom.202200688"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsmaterialslett.1c00794"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.orgel.2024.107095"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1039\/D4CP00637B"},{"key":"e_1_2_8_16_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202209343"},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.2c00512"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b12124"},{"key":"e_1_2_8_19_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.2c03425"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202206681"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.2c11164"},{"key":"e_1_2_8_22_1","first-page":"1","volume":"34","author":"Yang S. 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