Recently a new crystalline phase of aluminium tris(8-hydroxyquinolinate) (Alq3) called d-phase has been reported. On the basis of luminescence data, the presence of the facial isomer has been suggested. Using time dependent density functional theory calculations we compared the spectral features of meridianal and facial Alq3. Comparisons between the two isomers have been used to confirm the presence of facial Alq3 in d-phase crystals. The interpretation of some characteristics of the more studied meridianal isomer has been suggested. 2002 Published by Elsevier Science B.V.
Are UV-VIS and luminescence spectra of Alq3 [Aluminium tris (8-hydroxy-quinolinate)] delta-phase compatible with the presence of the fac-Alq3 isomer? A TD-DFT investigation
AMATI, Mario;LELJ GAROLLA DI BARD, Francesco
2002-01-01
Abstract
Recently a new crystalline phase of aluminium tris(8-hydroxyquinolinate) (Alq3) called d-phase has been reported. On the basis of luminescence data, the presence of the facial isomer has been suggested. Using time dependent density functional theory calculations we compared the spectral features of meridianal and facial Alq3. Comparisons between the two isomers have been used to confirm the presence of facial Alq3 in d-phase crystals. The interpretation of some characteristics of the more studied meridianal isomer has been suggested. 2002 Published by Elsevier Science B.V.File in questo prodotto:
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