Theoretical investigation of a blue hydroxyquinaldine-based aluminum(III) complex

Kin-Yiu WONG, C. F. Lo*, W. Y. Sham, H. H. Fong, Shu Kong SO, Louis M L LEUNG

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

The absorption and light-emitting properties of a blue aluminum complex are investigated theoretically. The complex is bis(8-hydroxyquinolinolato) aluminum hydroxide [Al(Mq)2OH] and emits at about 485 nm. Very bright organic light-emitting diodes can be fabricated from Al(Mq) 2OH with a maximum luminance of about 14000 cd/m2. The geometry, bonding, and frontier orbitals are examined in details by self-consistent Hartree-Fock method and by density functional theory. Computational results indicate that the peak emission is mainly determined by the 2-methyl-8-quinolinol group and is independent of the hydroxide group. The computed absorption and emission gaps are in good agreement with experimentally determined values.

Original languageEnglish
Pages (from-to)194-198
Number of pages5
JournalPhysics Letters, Section A: General, Atomic and Solid State Physics
Volume321
Issue number3
DOIs
Publication statusPublished - 2 Feb 2004

Scopus Subject Areas

  • Physics and Astronomy(all)

User-Defined Keywords

  • Ab initio calculations
  • Bis(8-hydroxyquinolinolato) aluminum hydroxide [Al(Mq)OH]

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