Refined structure determination of blue-emitting tris(8-hydroxyquinoline) aluminum(III) (Alq3) by the combined use of cross-polarization/magic- angle spinning 13C solid-state NMR and first-principles calculation

Journal of Physical Chemistry C

Volumn 117, Issue 37, 2013, Pages 18809-18817

  Suzuki, Furitsu ^a   Fukushima, Tatsuya ^a   Fukuchi, Masashi ^a   Kaji, Hironori ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

FIRST-PRINCIPLES CALCULATION; INTERMOLECULAR PACKING; INTERMOLECULAR STRUCTURES; INTRAMOLECULAR STRUCTURE; ISOTROPIC CHEMICAL SHIFTS; PERIODIC BOUNDARY CONDITIONS; PROJECTOR-AUGMENTED WAVES; TRIS(8-HYDROXYQUINOLINE) ALUMINUM;

ALUMINUM; LIGHT EMITTING DIODES; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

CALCULATIONS;

EID: 84884576674     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp404430v     Document Type: Article

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