標題: Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes
作者: Cole, Jacqueline M.
Bowes, Katharine F.
Clark, Ian P.
Low, Kian Sing
Zeidler, Anita
Farker, Anthony W.
Laskar, Inamur R.
Chen, Teng-Ming
應用化學系
Department of Applied Chemistry
公開日期: 1-May-2013
摘要: The photophysical properties of seven luminescent iridium complexes are characterized in their single-crystal form, and the photoactivity is related to their molecular structures. Specifically, solid-state optical emission spectra and associated lifetimes are determined from single crystals of iridium complexes containing three bidentate ligands: two variously substituted 2-phenylbenzothiazoles and either a 2,4-pentadione (acetylacetone) or 2-pyridinecarboxylic (picolinic) acid. All complexes studied exhibit emissive behavior in the solid-state which originates from 3 pi-pi* and metal-to-ligand-charge-transfer (MLCT) electronic transitions; this is supported by density functional theory. Phosphorescence is observed in all cases with microsecond lifetimes, ranging from 0.30 to 2.4 mu s at 298 K and 1.4-4.0 mu s at 100 K. Structure-property relationships are established which are relevant to the potential solid-state application of this series of luminescent complexes as organic light emitting diodes (OLED) material components. In addition, these materials are assessed for their suitability to time-resolved pump-probe photocrystallography experiments, which will reveal their photoexcited state structure. Accordingly, the design process by which materials are selected and technical parameters are defined for a photocrystallography experiment is illustrated. This family of complexes presents a case study for this photocrystallography material profiling. Results show that the time-resolved photo excited state structure, featuring the MLCT transition is, in principle at least, viable for two of these complexes.
URI: http://dx.doi.org/10.1021/cg301386s
http://hdl.handle.net/11536/21905
ISSN: 1528-7483
DOI: 10.1021/cg301386s
期刊: CRYSTAL GROWTH & DESIGN
Volume: 13
Issue: 5
起始頁: 1826
結束頁: 1837
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