Journal
INORGANICA CHIMICA ACTA
Volume 408, Issue -, Pages 225-229Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ica.2013.06.021
Keywords
Ir(III) complexes; Color tuning; Amino; Fluoro; Orbital interaction
Categories
Funding
- NCKU Research and Development Foundation [98S049]
- KPI project [1001105-125]
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Orbital interactions between nitrogen's 2p-orbital, 2p(N), and the higher-lying HOMO/ LUMO would push-up the latter even higher. This destabilization effect exerted by an amino explains the high-lying LUMO of the 2,2'-dipyridyl amine (HDPA) ancillary ligand, as well as the high-lying LUMO in Ir(ppy)(2)HDPA(+) (ppy = 2-phenylpyridine). The pi-destabilization effect on MOs exerted by a fluoro must be incorporated into consideration to explain the site-dependent characteristics observed by related color-tuning studies. Two new blue phosphorescent fluorinated Ir(ppy)(2)HDPA(+) complexes have been synthesized by introducing fluoro(s) at suitable phenyl-carbon(s): having small 2p(pi)(C) content in HOMO and/ or large 2p(pi)(C) content in LUMO. (C) 2013 Elsevier B.V. All rights reserved.
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