화학공학소재연구정보센터
학회 한국고분자학회
학술대회 2019년 가을 (10/09 ~ 10/11, 제주컨벤션센터)
권호 44권 2호
발표분야 대학원생 구두발표 (발표15분)
제목 Alkyl Conformation and π-π Interaction Dependent on Polymorphism in the 1,8-naphthalimide (NI) derivative
초록 The 1,8-naphthalimide (NI) derivative exhibits different photoluminescence properties due to its crystal polymorphism, which depends on the solvent evaporation process in tetrahydrofuran. In the slow drying process, molecules aggregated into an energetically more stable form, of which the PL peak maximum was 453 nm, corresponding to blue emission. However, the fast evaporation process induces an energetically less stable form, with a PL peak maximum of 508 nm, corresponding to green emission. The main difference between the two crystal structures is the alkyl conformation, as confirmed by X-ray single crystal analysis. NI groups aggregated into more obliquely aligned structures that emit blue PL, which plays a role in weakening the π-π interactions between molecules relative to green PL crystals. We found that conformational stable molecular stacking induced instability in the electronic energy levels of the blue crystal compared to the green crystal.
저자 조국현1, 이시우1, 이아라1, 홍승연1, 이성훈1, 안성호1, 이현휘2, 문도현2, 이승걸1, 김효정1
소속 1부산대, 2포항공과대
키워드 Photoluminescence quantum yield; single crystal; solvent evaporation; aggregation cased quenching; density function theory
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