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Ligand exchange dynamics in aluminum tris-(Quinoline-8-olate): a solution state NMR study

Ligand exchange dynamics in aluminum tris-(Quinoline-8-olate): a solution state NMR study
Ligand exchange dynamics in aluminum tris-(Quinoline-8-olate): a solution state NMR study
The exchange kinetics between the three symmetry-inequivalent ligands in the meridianal isomer of aluminum tris-(quinoline-8-olate) (Alq3), a widely used electron-transporting and light-emitting material in the field of organic light emitting diodes, have been studied using two-dimensional exchange NMR spectroscopy in solution. The three inequivalent ligands were found to exchange on a time scale of about 5 s- 1 at room temperature. A simple first-order mechanism based on consecutive 180° flips of the ligands is sufficient to quantitatively explain the experimental data. Activation enthalpies between 83 and 106 kJ mol- 1 were found for the flips of the three inequivalent ligands. The activation entropies are positive, suggesting a highly disordered transition state. These findings elucidate the internally mobile nature of the Alq3 complex, and may have important implications for the morphology of vapor deposited thin films of Alq3 as well as for crystallization-assisted device failures.
0002-7863
1371-1375
Utz, Marcel
c84ed64c-9e89-4051-af39-d401e423891b
Chen, Changqing
8954fcd3-5340-4211-a96e-14f70f163738
Morton, Martha
ae09da24-4ce4-477b-8ff3-62c6b5a1ec33
Papadimitrakopoulos, Fotios
8de3549f-a482-441a-bb31-d1f5269d873c
Utz, Marcel
c84ed64c-9e89-4051-af39-d401e423891b
Chen, Changqing
8954fcd3-5340-4211-a96e-14f70f163738
Morton, Martha
ae09da24-4ce4-477b-8ff3-62c6b5a1ec33
Papadimitrakopoulos, Fotios
8de3549f-a482-441a-bb31-d1f5269d873c

Utz, Marcel, Chen, Changqing, Morton, Martha and Papadimitrakopoulos, Fotios (2003) Ligand exchange dynamics in aluminum tris-(Quinoline-8-olate): a solution state NMR study. Journal of the American Chemical Society, 125 (5), 1371-1375. (doi:10.1021/ja027825o).

Record type: Article

Abstract

The exchange kinetics between the three symmetry-inequivalent ligands in the meridianal isomer of aluminum tris-(quinoline-8-olate) (Alq3), a widely used electron-transporting and light-emitting material in the field of organic light emitting diodes, have been studied using two-dimensional exchange NMR spectroscopy in solution. The three inequivalent ligands were found to exchange on a time scale of about 5 s- 1 at room temperature. A simple first-order mechanism based on consecutive 180° flips of the ligands is sufficient to quantitatively explain the experimental data. Activation enthalpies between 83 and 106 kJ mol- 1 were found for the flips of the three inequivalent ligands. The activation entropies are positive, suggesting a highly disordered transition state. These findings elucidate the internally mobile nature of the Alq3 complex, and may have important implications for the morphology of vapor deposited thin films of Alq3 as well as for crystallization-assisted device failures.

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More information

Published date: 14 January 2003
Organisations: Chemistry, Faculty of Natural and Environmental Sciences, Magnetic Resonance

Identifiers

Local EPrints ID: 355575
URI: https://eprints.soton.ac.uk/id/eprint/355575
ISSN: 0002-7863
PURE UUID: 6bc4bb8c-40b0-4da3-84ab-b3613b44accd
ORCID for Marcel Utz: ORCID iD orcid.org/0000-0003-2274-9672

Catalogue record

Date deposited: 18 Nov 2013 14:31
Last modified: 14 Jul 2018 00:30

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