{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,8]],"date-time":"2026-10-08T15:56:00Z","timestamp":1791474960947,"version":"4.3.4"},"reference-count":44,"publisher":"Royal Society of Chemistry (RSC)","license":[{"start":{"date-parts":[[2026,10,8]],"date-time":"2026-10-08T00:00:00Z","timestamp":1791417600000},"content-version":"vor","delay-in-days":280,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100007957","name":"Chongqing Municipal Education Commission","doi-asserted-by":"publisher","award":["KJQN202615135"],"award-info":[{"award-number":["KJQN202615135"]}],"id":[{"id":"10.13039\/501100007957","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["RSC Adv."],"abstract":"<jats:p>In this work, a systematic theoretical study of 4,5,6-triphenylpyridazine-3-carbonitrile-based (TPPz-based) donor\u2013acceptor molecules reveals that donor steric bulk critically controls molecular planarity and excited-state properties.<\/jats:p>","DOI":"10.1039\/d6ra07215a","type":"journal-article","created":{"date-parts":[[2026,10,8]],"date-time":"2026-10-08T15:25:18Z","timestamp":1791473118000},"update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Theoretical insights into the thermally activated delayed fluorescence of pyridazine derivatives: balancing twist and charge-transfer character"],"prefix":"10.1039","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1597-5762","authenticated-orcid":false,"given":"Yan","family":"Liu","sequence":"first","affiliation":[{"name":"School of Chinese Materia Medica, Chongqing College of Traditional Chinese Medicine, Chongqing, 402760, China"},{"name":"Chongqing Traditional Chinese Medicine Hospital, Chongqing, 400021, China"},{"name":"Modern Chinese Medicine Industry College, Chongqing College of Traditional Chinese Medicine, Chongqing, 402760, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shuhua","family":"Ma","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica, Chongqing College of Traditional Chinese Medicine, Chongqing, 402760, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuanyuan","family":"Yang","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica, Chongqing College of Traditional Chinese Medicine, Chongqing, 402760, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chunhua","family":"Qu","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica, Chongqing College of Traditional Chinese Medicine, Chongqing, 402760, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Junyan","family":"Zhou","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica, Chongqing College of Traditional Chinese Medicine, Chongqing, 402760, China"},{"name":"Modern Chinese Medicine Industry College, Chongqing College of Traditional Chinese Medicine, Chongqing, 402760, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yushan","family":"Wang","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica, Chongqing College of Traditional Chinese Medicine, Chongqing, 402760, China"},{"name":"Modern Chinese Medicine Industry College, Chongqing College of Traditional Chinese Medicine, Chongqing, 402760, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9152-1597","authenticated-orcid":false,"given":"Yibin","family":"Yang","sequence":"additional","affiliation":[{"name":"Chemical Pollution Control Chongqing Applied Technology Extension Center of Higher Vocational Colleges, Chongqing Industry Polytechnic University, Chongqing, 401120, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Weiguo","family":"Cao","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica, Chongqing College of Traditional Chinese Medicine, Chongqing, 402760, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6RA07215A\/cit1\/1","doi-asserted-by":"crossref","first-page":"913","DOI":"10.1063\/1.98799","volume":"51","author":"Tang","year":"1987","journal-title":"Appl. Phys. Lett."},{"key":"D6RA07215A\/cit2\/1","doi-asserted-by":"crossref","first-page":"234","DOI":"10.1038\/nature11687","volume":"492","author":"Uoyama","year":"2012","journal-title":"Nature"},{"key":"D6RA07215A\/cit3\/1","doi-asserted-by":"crossref","first-page":"1126","DOI":"10.1039\/C9MH01475F","volume":"7","author":"Bunzmann","year":"2020","journal-title":"Mater. Horiz."},{"key":"D6RA07215A\/cit4\/1","doi-asserted-by":"crossref","first-page":"134216","DOI":"10.1016\/j.cej.2021.134216","volume":"431","author":"Kothavale","year":"2022","journal-title":"Chem. Eng. J."},{"key":"D6RA07215A\/cit5\/1","doi-asserted-by":"crossref","first-page":"e202217080","DOI":"10.1002\/anie.202217080","volume":"62","author":"Pei","year":"2023","journal-title":"Angew. Chem., Int. Ed."},{"issue":"8","key":"D6RA07215A\/cit6\/1","doi-asserted-by":"crossref","first-page":"2042","DOI":"10.1063\/1.1733929","volume":"38","author":"Pope","year":"1963","journal-title":"J. Phys. Chem. C"},{"issue":"12","key":"D6RA07215A\/cit7\/1","doi-asserted-by":"crossref","first-page":"3174","DOI":"10.1557\/JMR.1996.0403","volume":"11","author":"Rothberg","year":"1996","journal-title":"J. Mater. Res."},{"issue":"6858","key":"D6RA07215A\/cit8\/1","doi-asserted-by":"crossref","first-page":"828","DOI":"10.1038\/35101565","volume":"413","author":"Wilson","year":"2001","journal-title":"Nature"},{"issue":"3","key":"D6RA07215A\/cit9\/1","doi-asserted-by":"crossref","first-page":"687","DOI":"10.1021\/ma048595w","volume":"38","author":"Nehls","year":"2005","journal-title":"Macromolecules"},{"issue":"10","key":"D6RA07215A\/cit10\/1","doi-asserted-by":"crossref","first-page":"5048","DOI":"10.1063\/1.1409582","volume":"90","author":"Adachi","year":"2001","journal-title":"J. Appl. Phys."},{"issue":"12","key":"D6RA07215A\/cit11\/1","doi-asserted-by":"crossref","first-page":"1271","DOI":"10.1002\/adma.200802034","volume":"21","author":"Xiao","year":"2010","journal-title":"Adv. Mater."},{"issue":"1","key":"D6RA07215A\/cit12\/1","first-page":"63","volume":"11","author":"Ly","year":"2016","journal-title":"Nat. Photonics"},{"issue":"15","key":"D6RA07215A\/cit13\/1","doi-asserted-by":"crossref","first-page":"6975","DOI":"10.1021\/acs.chemrev.7b00617","volume":"118","author":"Penfold","year":"2018","journal-title":"Chem. Rev."},{"issue":"8","key":"D6RA07215A\/cit14\/1","doi-asserted-by":"crossref","first-page":"540","DOI":"10.1038\/s41566-019-0415-5","volume":"13","author":"Ahn","year":"2019","journal-title":"Nat. Photonics"},{"issue":"32","key":"D6RA07215A\/cit15\/1","doi-asserted-by":"crossref","first-page":"6976","DOI":"10.1002\/adma.201601675","volume":"28","author":"Lin","year":"2016","journal-title":"Adv. Mater."},{"key":"D6RA07215A\/cit16\/1","doi-asserted-by":"crossref","first-page":"769","DOI":"10.1007\/s10895-023-03545-0","volume":"35","author":"Paras","year":"2025","journal-title":"J. Fluoresc."},{"key":"D6RA07215A\/cit17\/1","doi-asserted-by":"crossref","first-page":"16524","DOI":"10.1039\/D2TC03448D","volume":"10","author":"Mei","year":"2022","journal-title":"J. Mater. Chem. C"},{"key":"D6RA07215A\/cit18\/1","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1016\/j.orgel.2018.04.035","volume":"59","author":"Shakeel","year":"2018","journal-title":"Org. Electron."},{"issue":"1","key":"D6RA07215A\/cit19\/1","doi-asserted-by":"crossref","first-page":"7828","DOI":"10.1038\/s41467-022-35591-w","volume":"13","author":"Hua","year":"2022","journal-title":"Nat. Commun."},{"issue":"4","key":"D6RA07215A\/cit20\/1","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1038\/s41566-018-0112-9","volume":"12","author":"Tien-Lin","year":"2018","journal-title":"Nat. Photonics"},{"issue":"10","key":"D6RA07215A\/cit21\/1","doi-asserted-by":"crossref","first-page":"678","DOI":"10.1038\/s41566-019-0476-5","volume":"13","author":"Kondo","year":"2019","journal-title":"Nat. Photonics"},{"key":"D6RA07215A\/cit22\/1","doi-asserted-by":"publisher","DOI":"10.1039\/D6NJ02825J","author":"Yang","year":"2026","journal-title":"New J. Chem."},{"issue":"23","key":"D6RA07215A\/cit23\/1","doi-asserted-by":"crossref","first-page":"4740","DOI":"10.1002\/adma.201504601","volume":"28","author":"Obolda","year":"2016","journal-title":"Adv. Mater."},{"issue":"1","key":"D6RA07215A\/cit24\/1","doi-asserted-by":"crossref","first-page":"14987","DOI":"10.1038\/ncomms14987","volume":"8","author":"Etherington","year":"2017","journal-title":"Nat. Commun."},{"issue":"40","key":"D6RA07215A\/cit25\/1","doi-asserted-by":"crossref","first-page":"14342","DOI":"10.1039\/D1TC03480D","volume":"9","author":"Hojo","year":"2021","journal-title":"J. Mater. Chem. C"},{"issue":"2","key":"D6RA07215A\/cit26\/1","doi-asserted-by":"crossref","first-page":"528","DOI":"10.1039\/D0TC04465B","volume":"9","author":"Kothavale","year":"2021","journal-title":"J. Mater. Chem. C"},{"issue":"12","key":"D6RA07215A\/cit27\/1","doi-asserted-by":"crossref","first-page":"1332","DOI":"10.1038\/s41563-020-0710-z","volume":"19","author":"Tang","year":"2020","journal-title":"Nat. Mater."},{"key":"D6RA07215A\/cit28\/1","doi-asserted-by":"crossref","first-page":"8476","DOI":"10.1038\/ncomms9476","volume":"6","author":"Kaji","year":"2015","journal-title":"Nat. Commun."},{"key":"D6RA07215A\/cit29\/1","doi-asserted-by":"crossref","first-page":"1908355","DOI":"10.1002\/adma.201908355","volume":"32","author":"Zhang","year":"2020","journal-title":"Adv. Mater."},{"key":"D6RA07215A\/cit30\/1","doi-asserted-by":"crossref","first-page":"208","DOI":"10.1038\/s41566-021-00763-5","volume":"15","author":"Jeon","year":"2021","journal-title":"Nat. Photonics"},{"issue":"1\u20133","key":"D6RA07215A\/cit31\/1","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1016\/j.cplett.2004.06.011","volume":"393","author":"Yanai","year":"2004","journal-title":"Chem. Phys. Lett."},{"issue":"18","key":"D6RA07215A\/cit32\/1","doi-asserted-by":"crossref","first-page":"3297","DOI":"10.1039\/b508541a","volume":"7","author":"Weigend","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"4","key":"D6RA07215A\/cit33\/1","doi-asserted-by":"crossref","first-page":"044118","DOI":"10.1063\/1.2831900","volume":"128","author":"Peach","year":"2008","journal-title":"J. Chem. Phys."},{"issue":"21","key":"D6RA07215A\/cit34\/1","doi-asserted-by":"crossref","first-page":"4743","DOI":"10.1021\/acs.jpca.2c08201","volume":"127","author":"Hall","year":"2023","journal-title":"J. Phys. Chem. A"},{"key":"D6RA07215A\/cit35\/1","doi-asserted-by":"crossref","first-page":"3928","DOI":"10.1063\/1.1540109","volume":"118","author":"Hutter","year":"2003","journal-title":"J. Chem. Phys."},{"key":"D6RA07215A\/cit36\/1","volume-title":"Gaussian 16, Revision C.02","author":"Frisch","year":"2019","unstructured":"M. J.Frisch ,  G. W.Trucks ,  H. B.Schlegel ,  G. E.Scuseria ,  M. A.Robb ,  J. R.Cheeseman ,  G.Scalmani ,  V.Barone ,  G. A.Petersson ,  H.Nakatsuji ,  X.Li ,  M.Caricato ,  A. V.Marenich ,  J.Bloino ,  B. G.Janesko ,  R.Gomperts ,  B.Mennucci ,  H. P.Hratchian ,  J. V.Ortiz ,  A. F.Izmaylov ,  J. L.Sonnenberg ,  D.Williams-Young ,  F.Ding ,  F.Lipparini ,  F.Egidi ,  J.Goings ,  B.Peng ,  A.Petrone ,  T.Henderson ,  D.Ranasinghe ,  V. G.Zakrzewski ,  J.Gao ,  N.Rega ,  G.Zheng ,  W.Liang ,  M.Hada ,  M.Ehara ,  K.Toyota ,  R.Fukuda ,  J.Hasegawa ,  M.Ishida ,  T.Nakajima ,  Y.Honda ,  O.Kitao ,  H.Nakai ,  T.Vreven ,  K.Throssell ,  J. A.Montgomery Jr ,  F.Ogliaro ,  M. J.Bearpark ,  J. J.Heyd ,  E. N.Brothers ,  K. N.Kudin ,  V. N.Staroverov ,  T. A.Keith ,  R.Kobayashi ,  J.Normand ,  K.Raghavachari ,  A. P.Rendell ,  J. C.Burant ,  S. S.Iyengar ,  J.Tomasi ,  M.Cossi ,  J. M.Millam ,  M.Klene ,  C.Adamo ,  R.Cammi ,  J. W.Ochterski ,  R. L.Martin ,  K.Morokuma ,  O.Farkas ,  J. B.Foresman  and  D. J.Fox ,  Gaussian 16, Revision C.02 ,  Gaussian, Inc. ,  Wallingford CT ,  2019"},{"key":"D6RA07215A\/cit37\/1","doi-asserted-by":"crossref","first-page":"082503","DOI":"10.1063\/5.0216272","volume":"161","author":"Lu","year":"2024","journal-title":"J. Chem. Phys."},{"key":"D6RA07215A\/cit38\/1","doi-asserted-by":"crossref","first-page":"580","DOI":"10.1002\/jcc.22885","volume":"33","author":"Lu","year":"2012","journal-title":"J. Comput. Chem."},{"key":"D6RA07215A\/cit39\/1","doi-asserted-by":"crossref","first-page":"539","DOI":"10.1002\/jcc.26812","volume":"43","author":"Lu","year":"2022","journal-title":"J. Comput. Chem."},{"key":"D6RA07215A\/cit40\/1","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","volume":"14","author":"Humphrey","year":"1996","journal-title":"J. Mol. Graph."},{"key":"D6RA07215A\/cit41\/1","doi-asserted-by":"crossref","first-page":"1223","DOI":"10.1002\/cjoc.202000226","volume":"38","author":"Shuai","year":"2020","journal-title":"Chin. J. Chem."},{"key":"D6RA07215A\/cit42\/1","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1016\/j.physrep.2013.12.002","volume":"537","author":"Shuai","year":"2014","journal-title":"Phys. Rep."},{"key":"D6RA07215A\/cit43\/1","doi-asserted-by":"crossref","first-page":"224","DOI":"10.1093\/nsr\/nww024","volume":"4","author":"Shuai","year":"2017","journal-title":"Nat. Sci. Rev."},{"key":"D6RA07215A\/cit44\/1","first-page":"269","volume":"4","author":"Aidas","year":"2014","journal-title":"Wiley Interdiscip. Rev.:Comput. Mol. Sci."}],"container-title":["RSC Advances"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/RA\/article-pdf\/doi\/10.1039\/D6RA07215A\/0\/D6RA07215A.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,8]],"date-time":"2026-10-08T15:25:25Z","timestamp":1791473125000},"score":1,"resource":{"primary":{"URL":"http:\/\/pubs.rsc.org\/RA\/article-lookup\/doi\/10.1039\/D6RA07215A"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":44,"URL":"https:\/\/doi.org\/10.1039\/d6ra07215a","relation":{},"ISSN":["2046-2069"],"issn-type":[{"value":"2046-2069","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}