Unravelling the fluorescence and semiconductor properties of a new coronene:TCNB charge transfer cocrystal polymorph
- 주제(기타) Chemistry, Multidisciplinary; Crystallography
- 설명문(일반) [Mandal, Arkalekha; Kim, Youngmee; Kim, Sung-Jin; Park, JaeHong] Ewha Womans Univ, Dept Chem & Nanosci, Seoul 03760, South Korea
- 등재 SCIE, SCOPUS
- 발행기관 ROYAL SOC CHEMISTRY
- 발행년도 2021
- 총서유형 Journal
- URI http://www.dcollection.net/handler/ewha/000000183605
- 본문언어 영어
- Published As http://dx.doi.org/10.1039/d1ce00741f
초록/요약
Charge transfer cocrystallization with an electron rich donor (D) and electron deficient acceptor (A) is a useful method to prepare luminescent organic electronic materials. The electronic nature and photoluminescence property of charge transfer cocrystals are dependent on the choices of donor and acceptor as well as on the supramolecular network. Herein, we report a new polymorph of coronene : TCNB (2 : 3) charge transfer cocrystal that has unique crystal packing with infinite mixed D-A stacks separated by finite A-D-A triads. The new coronene:TCNB polymorph is red emissive (lambda(max) approximate to 640 nm) with a photoluminescence quantum yield approximate to 5%. Theoretical calculations predict an ambipolar semiconductor nature owing to the electron transport along the infinite D-A stack and hole transport between the coronene molecules of adjacent A-D-A triads in the new cocrystal polymorph. The roles of the supramolecular architecture and the frontier molecular orbitals of donor/acceptor in dictating the optical and electronic properties were elucidated by theoretical studies.
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