This paper reports the synthesis, characterization, photophysical and structural properties of the homologous series of good emitting pentacoordinated GaQ'L-2 complexes 1 - 3, where Q' is 2-methylquinolin-8-olate and L is a phenolate substituted in para position with respect to the oxygen donor atom. A combined approach between the experimental structural analysis (i.e. the molecular fragments involved in intermolecular p - p interactions) and the computational study (i.e. the nature of the molecular orbitals residing therein) is discussed in order to compare the charge transport aptitude of complexes 1 - 3, in relation to the facing of their LUMO/LUMO, HOMO/HOMO and HOMO/LUMO arising from the molecular packing. The different phenolate ligands significantly change the packing characteristics of 1 - 3, with indirect effects on the electron hopping kinetics responsible for conduction in amorphous thin films. The observed preference for pyridyl - pyridyl stacking proves a faster electron conduction in comparison to hole conduction in the three complexes studied.
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|Titolo:||Experimental and Computational Evidences of the Intermolecular Motifs in the Crystal Packing of Luminescent Pentacoordinated Gallium(III) Complexes|
|Data di pubblicazione:||2006|
|Appare nelle tipologie:||1.1 Articolo in rivista|