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  • 09월 05일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능
대회명 대한화학회 제120회 학술발표회 및 총회
등록일 2017년 8월 10일 17시 14분 22초
접수번호 0289
발표코드 INOR.P-3 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간 10월 19일 (목요일) 11:00~12:30
발표형식 포스터
발표분야 Inorganic Chemistry
저자 및 공동저자 Dong Kyun You, Min Hyung Lee1,*, Myung Hwan Park2,*, Kang Mun Lee*
Department of Chemistry, Kangwon National University, Korea
1Department of Chemistry, University of Ulsan, Korea
2Department of Chemical Education, Chungbuk Natioanl University, Korea
제목 Photophysical and electron accepting properties of multi-o-carboranylbenzene compounds
내용 Multiple o-carborane substituted compounds, mono-, 1,3-bis-, and 1,3,5-tris-(2-(4-butylphenyl)-o-carboran-1-yl)benzene (13) were prepared and characterized by multinuclear NMR spectroscopy and elemental analysis. The solid-state structures of 2 and 3 were also verified by single crystal X-ray diffraction. While the monocarborane compound 1 was non-emissive in solution state at 298 K, the photoluminescence (PL) spectra of 2 and 3 showed weak to moderate emission (λem = 352 nm for 2 and 363 nm for 3 in THF). Compounds 2 and 3 exhibited intriguing dual emission bands (λem = 361 and 537 nm for 2 and λem = 387 and 520 nm for 3) at 77 K and in film, of which the low-energy band was main in the solid state. TD-DFT calculations on the S1 optimized structures suggested that the low-energy fluorescence of 2 and 3 was attributed to the π(4-butylphenyl) → π*(phenylene-o-carborane) intramolecular chargetransfer (ICT) transition. The low-energy electronic transition of 2 and 3 was obviously associated with an aggregation-induced emission (AIE), and enhanced emission intensity (λem = ca. 570 nm for 2 and λem = ca. 550 nm for 3) was observed upon increasing the water fraction (fw) in THF/water mixtures. Furthermore, the PL experiments of poly(3-hexylthiophene-2,5-diyl) (P3HT) polymer films doped with 3 revealed the excellent electron-accepting properties of 3.
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