Seungju Kim# , Jin Soo Yoo*,#, Junghoon Lee*,† , and Kyu Cheol Lee†
Department of Applied Chemistry·Food Science Technology, Dong-Eui University, 176 Eomgwangro, Busan 47340, Korea
*Division of Chemical Engineering, Dongseo University, Busan 47011, Korea
동의대학교 응용화학·식품공학과, *동서대학교 화학공학부
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This study aimed to investigate the physical and chemical properties resulting from the introduction of fluorine substituents in two copolymers, namely PBDTT-ttTPD and PFBDTT-ttTPD, which were synthesized using benzodithiophene (BDT) as donor and alkylthienothienyl thienopyrrolodione (ttTPD) as acceptor. In comparison to PBDTT-ttTPD, PFBDTT-ttTPD demonstrated low HOMO energy levels (-5.51 eV) and high thermal stability. Furthermore, DFT calculations provided predictions for molecular arrangement and electron distribution, which tend to be similar to experimental results, meaning these results can be used as materials for new organic semiconductors.
본 연구에서는 전자 주개 물질인 benzodithiophene(BDT)와 전자 받개 물질인 alkylthienothienyl thienopyrrolodione (ttTPD)를 Stille 커플링 중합법으로 2가지 유기반도체용 공중합체인 PBDTT-ttTPD와 PFBDTT-ttTPD를 합성하고 불소 치환기 도입에 따른 물리적 및 화학적 특성을 확인하였다. PBDTT-ttTPD에 비해 PFBDTT-ttTPD가 더 낮은 HOMO 레벨과 높은 열안정성을 보여 주었다. 또한 DFT 계산으로부터 분자간 배열 및 전자 분포를 예측하였으며 이 값은 실험적 결과들과 유사한 경향성을 보이며 이런 결과는 새로운 유기반도체용 재료로써 활용 가능함을 의미한다.
Keywords: conjugated polymer, fluorine substitution, thermal stability, organic semiconductor.
2024; 48(1): 93-100
Published online Jan 25, 2024
Department of Applied Chemistry·Food Science Technology, Dong-Eui University, 176 Eomgwangro, Busan 47340, Korea
*Division of Chemical Engineering, Dongseo University, Busan 47011, Korea