Study of a phosphorescent cationic iridium( iii ) complex displaying a blue-shift in crystals

We report the synthesis and the characterization of a new cationic iridium(III) complex featuring two 1-(p-methoxyphenyl)-5-methoxybenzimidazole cyclometallating ligands and a dimethylbipyridine ancillary ligand. The complex has been fully characterized by 1D and 2D NMR (1H, 13C, 19F and 31P), eleme...

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Published in:Physical chemistry chemical physics : PCCP 2021, Vol.23 (43), p.24789-24800
Main Authors: Martínez-Vollbert, Emiliano, Philouze, Christian, Gautier-Luneau, Isabelle, Moreau, Yohann, Lanoë, Pierre-Henri, Loiseau, Frédérique
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Language:English
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Chemical Sciences
Coordination chemistry
Inorganic chemistry
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Theoretical and
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container_issue 43
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container_title Physical chemistry chemical physics : PCCP
container_volume 23
creator Martínez-Vollbert, Emiliano
Philouze, Christian
Gautier-Luneau, Isabelle
Moreau, Yohann
Lanoë, Pierre-Henri
Loiseau, Frédérique
description We report the synthesis and the characterization of a new cationic iridium(III) complex featuring two 1-(p-methoxyphenyl)-5-methoxybenzimidazole cyclometallating ligands and a dimethylbipyridine ancillary ligand. The complex has been fully characterized by 1D and 2D NMR (1H, 13C, 19F and 31P), elemental analysis and high-resolution mass spectrometry (HRMS). The photoluminescence studies performed in a solution, on amorphous powder and on crystals revealed an unexpected behavior.Indeed, the emission spectra observed in both solution (CH2Cl2) and amorphous powder samples are centered at around 580 nm, whereas in crystals the emission displays a large hypsochromic shift of B800 cm1 (lem = 558 nm). X-ray diffraction experiments, photophysical studies and DFT calculations allow for rationalizing the hypsochromic shift.
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Inorganic chemistry
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Theoretical and
title Study of a phosphorescent cationic iridium( iii ) complex displaying a blue-shift in crystals
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