000180004 001__ 180004
000180004 005__ 20181203022809.0
000180004 0247_ $$2doi$$a10.1002/ejic.201200197
000180004 022__ $$a1434-1948
000180004 02470 $$2ISI$$a000305506800013
000180004 037__ $$aARTICLE
000180004 245__ $$aBis(pyrazol-1-yl)methane as Non-Chromophoric Ancillary Ligand for Charged Bis-Cyclometalated Iridium(III) Complexes
000180004 260__ $$bWiley-Blackwell$$c2012
000180004 269__ $$a2012
000180004 336__ $$aJournal Articles
000180004 520__ $$aNew charged cyclometalated iridium(III) complexes [Ir(ppy)2(L)](PF6) [ppy = 2-phenylpyridine; L = bis(pyrazol-1-yl)methane (for 1); L = bis(3,5-dimethylpyrazol-1-yl)methane (for 2)] were synthesized and their electrochemical and photophysical properties studied. These complexes with non-p-electron-conjugated ancillary chelates exhibit significantly blueshifted emission relative to those of commonly used derivatives with NN ancillary ligands such as bipyridine or phenanthroline. Both X-ray and theoretical analysis based on time-dependent density functional theory (TD-DFT) reveal that the binding of Ir to the bis(pyrazol-1-yl)methane ancillary ligand is much weaker than that to the phenylpyridine main ligand; the effect is enhanced in the excited state. As a result, the ancillary ligand does not participate in low-energy excitations and triplet emission, and the electronic transitions are concentrated on the main chromophoric ligands. The blueshift feature is attributed to emission originating from the main cyclometalated ligands, in contrast to emitters with the NN chromophoric ancillary ligand. In addition, complex 2 exhibits a one order of magnitude higher non-radiative decay rate than complex 1, which is attributed to the steric hindrance of the methyl groups that leads to a more loosely bound ancillary ligand.
000180004 6531_ $$aIridium
000180004 6531_ $$aLuminescence
000180004 6531_ $$aDensity functional calculations
000180004 6531_ $$aPyrazole
000180004 6531_ $$aMolecular modeling
000180004 6531_ $$aEmitting Electrochemical-Cells
000180004 6531_ $$aPhotophysical Properties
000180004 6531_ $$aIr(Iii) Complexes
000180004 6531_ $$aBlue-Green
000180004 6531_ $$aLight
000180004 6531_ $$aPhosphorescent
000180004 6531_ $$aDerivatives
000180004 6531_ $$aEmitters
000180004 6531_ $$aDesign
000180004 6531_ $$aColor
000180004 700__ $$aMeng, Sheng
000180004 700__ $$0244225$$aJung, Il$$g182700
000180004 700__ $$aFeng, Jie
000180004 700__ $$0240189$$aScopelliti, Rosario$$g148592
000180004 700__ $$0240948$$aDi Censo, Davide$$g144302
000180004 700__ $$0240191$$aGraetzel, Michael$$g105292
000180004 700__ $$0240422$$aNazeeruddin, M. Khaja$$g105958
000180004 700__ $$0243911$$aBaranoff, Etienne$$g177332
000180004 773__ $$q3209-3215$$tEuropean Journal Of Inorganic Chemistry
000180004 909C0 $$0252060$$pLPI$$xU10101
000180004 909CO $$ooai:infoscience.tind.io:180004$$pSB$$particle
000180004 917Z8 $$x105528
000180004 937__ $$aEPFL-ARTICLE-180004
000180004 973__ $$aEPFL$$rREVIEWED$$sPUBLISHED
000180004 980__ $$aARTICLE