DC Field | Value | Language |
---|---|---|
dc.contributor.author | Park, Woojin | - |
dc.contributor.author | Shen, Jun | - |
dc.contributor.author | Lee, Seunghoon | - |
dc.contributor.author | Piecuch, Piotr | - |
dc.contributor.author | Joo, Taiha | - |
dc.contributor.author | Filatov(gulak), Michael | - |
dc.contributor.author | Choi, Cheol Ho | - |
dc.date.accessioned | 2023-03-03T07:50:44Z | - |
dc.date.available | 2023-03-03T07:50:44Z | - |
dc.date.created | 2022-09-29 | - |
dc.date.issued | 2022-01 | - |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/116663 | - |
dc.description.abstract | © Author(s)A novel type of singlet-to-singlet thermally activated delayed fluorescence (STS-TADF) from the optically bright 11Bu+ and dark 21Ag- states of octatetraene is proposed based on state-of-the-art ab initio simulations. The new phenomenon bears similarity with TADF, the key difference being that in the normal TADF the emissive state is repopulated from a nearby triplet, whereas in STS-TADF it occurs from a nearby dark singlet state (21Ag-). The nonadiabatic populations of the bright and dark singlet excited states are dynamically redistributed through a conical intersection mediated by an ultrafast skeleton C-C stretching vibration, establishing a steady state for a sufficiently long time to undergo radiative decay. The steady state manifests itself in the experimentally observed dual fluorescence. It is expected that the STS-TADF can be observed in other-conjugated chromophores as well. | - |
dc.language | English | - |
dc.publisher | American Chemical Society | - |
dc.relation.isPartOf | Journal of Physical Chemistry C | - |
dc.title | Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process | - |
dc.type | Article | - |
dc.identifier.doi | 10.1021/acs.jpcc.2c04105 | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | Journal of Physical Chemistry C, v.126, no.35, pp.14976 - 14985 | - |
dc.identifier.wosid | 000863079100001 | - |
dc.citation.endPage | 14985 | - |
dc.citation.number | 35 | - |
dc.citation.startPage | 14976 | - |
dc.citation.title | Journal of Physical Chemistry C | - |
dc.citation.volume | 126 | - |
dc.contributor.affiliatedAuthor | Joo, Taiha | - |
dc.identifier.scopusid | 2-s2.0-85137294648 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.type.docType | Article; Early Access | - |
dc.subject.keywordPlus | COUPLED-CLUSTER METHODS | - |
dc.subject.keywordPlus | ELECTRONIC-ENERGY LEVELS | - |
dc.subject.keywordPlus | LIGHT-EMITTING-DIODES | - |
dc.subject.keywordPlus | EXCITED-STATES | - |
dc.subject.keywordPlus | CONICAL INTERSECTIONS | - |
dc.subject.keywordPlus | INTERNAL-CONVERSION | - |
dc.subject.keywordPlus | EXCITATION-ENERGIES | - |
dc.subject.keywordPlus | LONG POLYENES | - |
dc.subject.keywordPlus | BASIS-SETS | - |
dc.subject.keywordPlus | TRANSITION | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Nanoscience & Nanotechnology | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
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