blue light emitting electrochemical cells …s1! blue light emitting electrochemical cells...

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Blue Light Emitting Electrochemical Cells Incorporating

Triazole-based Luminophores

Jesus M. Fernandez-Hernandez,a,d Sébastien Ladouceur, b Yulong Shen,c Adriana

Iordache,a Xiaorong Wang,b Loïc Donato,b Shawn Gallagher-Duval,b Manuel de Anda

Villa,c Jason D. Slinker,c* Luisa De Colaa,e* and Eli Zysman-Colmanb,f*

aWestfalische Wilhelms-‐Universität Münster, Center for Nanotechnology (CeNTech), Heisenbergstrasse 11, 48149 Münster, Germany, bDépartement de Chimie, Université de Sherbrooke, 2500 Boul. de l’Université, Sherbrooke, QC, Canada, J1K 2R1 cDepartment of Physics, The University of Texas at Dallas, 800 W. Campbell Rd., Richardson, TX, USA 75080 dCurrent address: Grupo de Química Organometálica, Departamento de Química Inorgánica, Facultad de Química, Universidad de Murcia, Apdo. 4021, 30071 Murcia, Spain e Current address: Institut de Science et d'Ingénierie Supramoléculaires (I.S.I.S.), Université de Strasbourg, 8, allée Gaspard Monge, 67000 Strasbourg France f Current address: School of Chemistry, University of St Andrews, St Andrews, Fife, UK, KY16 9ST, Fax: +44-‐1334 463808; Tel: +44-‐1334 463803; E-‐mail: ezc@st-‐andrews.ac.uk; URL: http://www.zysman-‐colman.com

Supporting Information 1H and 19F[1H] NMR spectra

Cyclic Voltammetry

Additional Photophysical Spectra

Calculations

Electronic Supplementary Material (ESI) for Journal of Materials Chemistry CThis journal is © The Royal Society of Chemistry 2013

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1H NMR spectra Complex 1a [Ir(Fphtl)2(PytlPh)]+PF6-‐

19F{1H} spectra Complex 1a [Ir(Fphtl)2(PytlPh)]+PF6-‐


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1H NMR spectra Complex 1b [Ir(dFphtl)2(PytlPh)]+PF6-‐

19F{1H} spectra Complex 1b [Ir(dFphtl)2(PytlPh)]+PF6-‐


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1H NMR spectra Complex 2a [Ir(Fphtl)2(PytlBn)]+PF6-‐

19F {1H} NMR spectra Complex 2a [Ir(Fphtl)2(PytlBn)]+PF6-‐


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1H NMR spectra Complex 2b [Ir(dFphtl)2(PytlBn)]+PF6-‐

19F {1H} NMR spectra Complex 2b [Ir(dFphtl)2(PytlBn)]+PF6-‐


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Figure S1: Cyclic Voltammetry of Complexes 1a-‐b

Figure S2: Cyclic Voltammetry of Complexes 2a-‐b


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Additional Photophysical Data

Figure S3: Photophysical data for Complex 1a [Ir(Fphtl)2(PytlPh)]+PF6-‐

Figure S4: Photophysical data for Complex 1b [Ir(dFphtl)2(PytlPh)]+PF6-‐


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Figure S5: Photophysical data for Complex 2a [Ir(Fphtl)2(PytlBn)]+PF6-‐

Figure S6: Photophysical data for Complex 2b [Ir(dFphtl)2(PytlBn)]+PF6-‐


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Figure S7: Emission Spectra of Powdered Samples of complexes 1a-‐b and 2a-‐b

Figure S8: Emission Spectra of Thin films of Complex 1a [Ir(Fphtl)2(PytlPh)]+PF6-‐


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Figure S9: Emission spectra of Thin films of Complex 1b [Ir(dFphtl)2(PytlPh)]+PF6-‐

Figure S10: Emission spectra of Thin films of Complex 2a [Ir(Fphtl)2(PytlBn)]+PF6-‐


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Figure S11: Emission spectra of Thin films of Complex 2b [Ir(dFphtl)2(PytlBn)]+PF6-‐

Calculations

Table S1: Selected bond and angle distance in complexes 1a-‐b

Table S2: Selected bond and angle distance in complexes 2a-‐b


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Figure S12: Quantification of Selected MOs of Complex 1a


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Figure S13: Quantification of Selected MOs of Complex 1b


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Figure S14: Quantification of Selected MOs of Complex 2a


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Figure S15: Quantification of Selected MOs of Complex 2b


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Figure S16: Comparison of experimental and calculated absorption spectra of 1a

Figure S17: Comparison of experimental and calculated absorption spectra of b


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Figure S18: Comparison of experimental and calculated absorption spectra of 2a

Figure S19: Comparison of experimental and calculated absorption spectra of 2b


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Figure S20: Dipole moment of S1 and T1 states of complex 1a

Figure S21: Dipole moment of S1 and T1 states of complex 1b


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Figure S22: Dipole moment of S1 and T1 states of complex 2a

Figure S23: Dipole moment of S1 and T1 states of complex 2b


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Table S3: TDDFT 100 lowest vertical singlet transition for complex 1a:


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Table S4: TDDFT 100 lowest vertical singlet transition for complex 1b:


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Table S5: TDDFT 100 lowest vertical singlet transition for complex 2a:


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Table S6: TDDFT 100 lowest vertical singlet transition for complex 2b:


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