120th General Meeting of the KCS

Type Poster Presentation
Area Industrial Chemistry
Room No. Exhibition Hall 2+3
Time 10월 20일 (금요일) 13:00~14:30
Code IND.P-70
Subject Important role of some ancillary ligand in Blue Phosphorescent Iridium(III) Complexes with Sulfonyl-Substituted ligand
Authors Jin-Hyoung Kim, DAE WON CHO, Sang Ook Kang, Ho-Jin Son*
Department of Advanced Materials Chemistry, Korea University, Korea
Abstract A series of heteroleptic Ir(III) complexes composed of 3-(pyridin-2-yl)benzene-1-sulfonyl fluoride (SO2F) as the main ligand and such ancillary ligands as acetylacetonate [Ir(SO2F)2(acac)] (acac), picolinate [Ir(SO2F)2(pic)] (pic), and tetrakis-pyrazolyl borate [Ir(SO2F)2(bor)] (bor) were prepared, and their emission behaviors depending on the ancillary ligands were systematically investigated. Phosphorescence origin of the sulfonyl group has been studied and emissive 3LC and 3MLCT were found to be directly related to emission quantum yield as well as emission color. Within the context to delineate the sulfonyl group effect, emission properties of the ancillary ligands have been scrutinized by means of emission photo-kinetics: a blue-shift emission is observed on going from acac (λmax = 490 nm) to bor (λmax = 460 nm). Density-functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations were employed to investigate the geometries, electronic structures and photophysical properties of three phosphorescent Ir(III) complexes. Elaboration of the sulfonyl group effect will be fully disclosed by the photodynamic studies and its significant role will be discussed.
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