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Kaji H, Kusaka Y, Onoyama G, et al. CP/MAS 13C NMR characterization of the isomeric states and intermolecular packing in tris(8-hydroxyquinoline) aluminum(III) (Alq3). J Am Chem Soc. 2006;128(13):4292-7doi: 10.1021/ja0565774.
Kaji, H., Kusaka, Y., Onoyama, G., & Horii, F. (2006). CP/MAS 13C NMR characterization of the isomeric states and intermolecular packing in tris(8-hydroxyquinoline) aluminum(III) (Alq3). Journal of the American Chemical Society, 128(13), 4292-7. https://doi.org/10.1021/ja0565774
Kaji, Hironori, et al. "CP/MAS 13C NMR characterization of the isomeric states and intermolecular packing in tris(8-hydroxyquinoline) aluminum(III) (Alq3)." Journal of the American Chemical Society vol. 128,13 (2006): 4292-7. doi: https://doi.org/10.1021/ja0565774
Kaji H, Kusaka Y, Onoyama G, Horii F. CP/MAS 13C NMR characterization of the isomeric states and intermolecular packing in tris(8-hydroxyquinoline) aluminum(III) (Alq3). J Am Chem Soc. 2006 Apr 05;128(13):4292-7. doi: 10.1021/ja0565774. PMID: 16569004.
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J Am Chem Soc. 2006 Apr 05;128(13):4292-7. doi: 10.1021/ja0565774.

CP/MAS 13C NMR characterization of the isomeric states and intermolecular packing in tris(8-hydroxyquinoline) aluminum(III) (Alq3).

Journal of the American Chemical Society

Hironori Kaji, Yasunari Kusaka, Goro Onoyama, Fumitaka Horii

Affiliations

  1. Institute for Chemical Research, Kyoto University, Uji, Japan. [email protected]

PMID: 16569004 DOI: 10.1021/ja0565774

Abstract

The isomeric states and intermolecular packing of tris(8-hydroxyquinoline) aluminum(III) (Alq(3)) in the alpha-, gamma-, and delta-crystalline forms and in the amorphous state, which are important for understanding the light-emitting and electron-transport properties, have been analyzed by CP/MAS (13)C NMR. This simple NMR experiment shows that the isomeric state of alpha- and amorphous Alq(3) is meridional, whereas that of gamma- and delta-Alq(3) is facial. In the amorphous Alq(3), the inclusion of facial isomers has been under debate. Our experiments show that meridional isomers are dominant in the amorphous Alq(3), although the existence of facial isomers cannot be completely denied. The local structure of amorphous Alq(3) is similar to that of alpha-Alq(3) and is significantly different from those of gamma- and delta-Alq(3). Among these Alq(3) samples, the effect of intermolecular interaction is not found only for gamma-Alq(3). This finding can explain the good solvent solubility of gamma-Alq(3), compared with the other crystalline forms. It is also shown that the structures are locally disordered not only for amorphous Alq(3) but also for alpha-Alq(3), although clear X-ray diffraction peaks are observed for alpha-Alq(3). In contrast, the local structures of gamma- and delta-Alq(3) are well defined. A clear relation is found between the spectral patterns of CP/MAS (13)C NMR and the fluorescence wavelengths; the samples, which consist of facial isomers, show blue-shifted fluorescence compared with those of meridionals.

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