화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2020년 가을 (10/28 ~ 10/30, 광주 김대중컨벤션센터(Kimdaejung Convention Center))
권호 24권 1호
발표분야 포스터-전기화학
제목 Electrochemical and DFT studies of near-infrared absorbing manganese-naphthalocyanines
초록 Naphthalocyanines (NPcs), macrocyclic molecules containing 18 delocalized π-electrons, exhibit excellent thermal and chemical stability, along with high tinctorial strength. They have been mainly used so far as pigments and recently extended their application in the electronic, optoelectronic, and electrochemical fields [1-2].  We have synthesized a series of metallo-naphthalocyanines (MNPcs) containing triethyleneglycol (TEG) at non-peripheral positions and various metals (M = Ni, Mn, Sn, Ru, Free) in a central position. The TEG substitution has enhanced the solubility of the MNPcs in most polar solvents. The synthesized MNPcs were thoroughly characterized by 1H-NMR and MALDI TOF-MS measurements. Notably, manganese NPcs (Mn-NPcs) showed peculiar electrochromic behaviors upon applied voltages.  The density function theory (DFT) studies were executed to understand the frontier molecular orbital energy levels of Mn-NPcs under various oxidized and reduced states.
저자 한성훈, Sun Fayong, 박종승
소속 부산대
키워드 Metallo-naphthalocyanine; NIR absorption; electrochomism; Density-functional theory
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