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Rigid Biimidazole Ancillary Ligands as an Avenue to Bright Deep Blue Cationic Iridium (III ... PDF

22 Pages·2014·6.65 MB·English
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Electronic Supplementary Material (ESI) for Faraday Discussions. This journal is © The Royal Society of Chemistry 2014 Rigid Biimidazole Ancillary Ligands as an Avenue to Bright Deep Blue Cationic Iridium (III) Complexes Adam Henwooda, Sloane Evaristeb,c, Alexandra M.Z. Slawina and Eli Zysman-Colmana* a  EaStCHEM  School  of  Chemistry,  University  of  St  Andrews,  St  Andrews,  Fife,  UK,  KY16  9ST,  Fax:  +44-­‐1334   463808;  Tel:  +44-­‐1334  463826;  E-­‐mail:  eli.zysman-­‐colman@st-­‐andrews.ac.uk;   b Département de Chimie, Université de Sherbrooke, 2500 Boul. de l’Université, Sherbrooke, QC, Canada, J1K 2R1 c Sciences Chimiques, UMR 6226 CNRS - Université de Rennes 1, Campus de Beaulieu, Rennes Cedex, France 35042 URL:  http://www.zysman-­‐colman.com     SUPPORTING INFORMATION Table of contents:   Pages 1H, 13C and 19F NMR spectra of individual compounds and S2-S16 complexes UV-vis, excitation, low and room temperature data of individual S17-S20 complexes Supplementary computational output S20-S22   S1 Figure S1. 1H NMR spectrum of 2-(2,4-Difluorophenyl)pyridine (dFppy) in CDCl . 3     S2 Figure S2. 13C NMR spectrum of 2-(2,4-Difluorophenyl)pyridine (dFppy) in CDCl . 3 S3 Figure S3. 19F {1H} NMR spectrum of 2-(2,4-Difluorophenyl)pyridine (dFppy) in CDCl . 3     S4 Figure S4. 1H NMR spectrum of 1H,1'H-2,2’-biimidazole (biim) in DMSO-d . 6     S5 Figure S5. 13C NMR spectrum of 1H,1'H-2,2’-biimidazole (biim) in DMSO-d . 6     S6 Figure S6. 1H NMR spectrum of 1,1'-Dimethyl-2,2’-biimidazole (dMebiim) in CDCl . 3     S7 Figure S7. 13C NMR spectrum of 1,1'-Dimethyl-2,2’-biimidazole (dMebiim) in CDCl . 3     S8 Figure S8. 1H NMR spectrum of 1,1'-(α,α’-o-Xylylene)-2,2’-biimidazole (oXylbiim) in DMSO-d . 6                     S9 Figure S9. 13C NMR spectrum of 1,1'-(α,α’-o-Xylylene)-2,2’-biimidazole (oXylbiim) in DMSO-d . 6     S10

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1H, 13C and 19F NMR spectra of individual compounds and S14.1H {19F} NMR spectrum of [(dFppy)2Ir(Xylbiim)](PF6), 3, in DMSO-d6 at 364 K.
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