2085-33-8Relevant articles and documents
Investigation of environmental and concentration effects on fluorescence properties of AlQ3 using mesoporous silica and polyacrylate
Poostforooshan, Jalal,Badiei, Alireza,Farzi, Gholamali,Goldooz, Hassan,Weber, Alfred P.
, p. 1887 - 1894 (2017)
In this work, for the first time, control over the position of maximum emission peak for fluorophore, using embedded tris(8-hydroxyquinoline) aluminum (AlQ3) complexes into different types of host materials, can be achieved. Moreover, the envir
Understanding M-ligand bonding and: Mer -/ fac -isomerism in tris(8-hydroxyquinolinate) metallic complexes
Lima, Carlos F.R.A.C.,Taveira, Ricardo J. S.,Costa, José C. S.,Fernandes, Ana M.,Melo, André,Silva, Artur M. S.,Santos, Luís M.N.B.F.
, p. 16555 - 16565 (2016/07/06)
Tris(8-hydroxyquinolinate) metallic complexes, Mq3, are one of the most important classes of organic semiconductor materials. Herein, the nature of the chemical bond in Mq3 complexes and its implications on their molecular properties were investigated by a combined experimental and computational approach. Various Mq3 complexes, resulting from the alteration of the metal and substitution of the 8-hydroxyquinoline ligand in different positions, were prepared. The mer-/fac-isomerism in Mq3 was explored by FTIR and NMR spectroscopy, evidencing that, irrespective of the substituent, mer- and fac-are the most stable molecular configurations of Al(iii) and In(iii) complexes, respectively. The relative M-ligand bond dissociation energies were evaluated experimentally by electrospray ionization tandem mass spectrometry (ESI-MS-MS), showing a non-monotonous variation along the group (Al > In > Ga). The results reveal a strong covalent character in M-ligand bonding, which allows for through-ligand electron delocalization, and explain the preferred molecular structures of Mq3 complexes as resulting from the interplay between bonding and steric factors. The mer-isomer reduces intraligand repulsions, being preferred for smaller metals, while the fac-isomer is favoured for larger metals where stronger covalent M-ligand bonds can be formed due to more extensive through-ligand conjugation mediated by metal d orbitals.
A theoretical and experimental study on meridional-facial isomerization of tris(quinolin-8-olate)aluminum (Alq3)
Iwakura,Ebina,Komori-Orisaku,Koide
, p. 12824 - 12827 (2014/08/18)
The rationale behind the stereospecific synthesis of a facial isomer of tris(quinolin-8-olate)aluminum (Alq3) is studied by density functional theory (DFT) calculations, which predict the favourable influence of an H3O+ ion on the distribution ratio between a meridional and a thermodynamically unstable facial isomer. This journal is the Partner Organisations 2014.