{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,15]],"date-time":"2026-02-15T03:24:55Z","timestamp":1771125895972,"version":"3.50.1"},"reference-count":65,"publisher":"MDPI AG","issue":"19","license":[{"start":{"date-parts":[[2023,10,6]],"date-time":"2023-10-06T00:00:00Z","timestamp":1696550400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004054","name":"King Abdulaziz University Deanship of Scientific Research","doi-asserted-by":"publisher","award":["IFPIP: 890-130-1443"],"award-info":[{"award-number":["IFPIP: 890-130-1443"]}],"id":[{"id":"10.13039\/501100004054","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>We report on organoboron complexes characterized by very small energy gaps (\u0394EST) between their singlet and triplet states, which allow for highly efficient harvesting of triplet excitons into singlet states for working as thermally activated delayed fluorescence (TADF) devices. Energy gaps ranging between 0.01 and 0.06 eV with dihedral angles of ca. 90\u00b0 were registered. The spin\u2013orbit couplings between the lowest excited S1 and T1 states yielded reversed intersystem crossing rate constants (KRISC) of an average of 105 s\u22121. This setup accomplished radiative decay rates of ca. 106 s\u22121, indicating highly potent electroluminescent devices, and hence, being suitable for application as organic light-emitting diodes.<\/jats:p>","DOI":"10.3390\/molecules28196952","type":"journal-article","created":{"date-parts":[[2023,10,6]],"date-time":"2023-10-06T07:49:29Z","timestamp":1696578569000},"page":"6952","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Organoboron Complexes as Thermally Activated Delayed Fluorescence (TADF) Materials for Organic Light-Emitting Diodes (OLEDs): A Computational Study"],"prefix":"10.3390","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-0205-4922","authenticated-orcid":false,"given":"Jamilah A.","family":"Asiri","sequence":"first","affiliation":[{"name":"Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia"},{"name":"Department of Chemistry, College of Arts and Sciences, Prince Sattam bin Abdulaziz University, Wadi Ad-Dwasir 18510, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Walid M. I.","family":"Hasan","sequence":"additional","affiliation":[{"name":"Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4070-3299","authenticated-orcid":false,"given":"Abdesslem","family":"Jedidi","sequence":"additional","affiliation":[{"name":"Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6739-824X","authenticated-orcid":false,"given":"Shaaban A.","family":"Elroby","sequence":"additional","affiliation":[{"name":"Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia"},{"name":"Chemistry Department, Faculty of Science, Beni-Suif University, Beni-Suif 62521, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1319-8784","authenticated-orcid":false,"given":"Saadullah G.","family":"Aziz","sequence":"additional","affiliation":[{"name":"Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4436-276X","authenticated-orcid":false,"given":"Osman I.","family":"Osman","sequence":"additional","affiliation":[{"name":"Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia"},{"name":"Chemistry Department, Faculty of Science, University of Khartoum, Khartoum P.O. Box 321, Sudan"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2023,10,6]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1103\/PhysRevLett.14.229","article-title":"Recombination Radiation in Anthracene Crystals","volume":"14","author":"Helfrich","year":"1956","journal-title":"Phys. Rev. Lett."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"2100269","DOI":"10.1002\/adom.202100269","article-title":"Emerging Biomedical Applications of Organic Light-Emitting Diodes","volume":"9","author":"Murawski","year":"2021","journal-title":"Adv. Opt. Mater."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"913","DOI":"10.1063\/1.98799","article-title":"Organic electroluminescent diodes","volume":"51","author":"Tang","year":"1987","journal-title":"Appl. Phys. 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