In the title compound, [Al(C(5)H(7)O(3))(3)], three acac-type ligands (methyl 3-oxobutanoate anions) chelate to the aluminium(III) cation in a slightly distorted AlO(6) octa-hedral coordination geometry. Electron delocalization occurs within the chelating rings.

The non-coplanar substituted phenyl rings at the 9-position of a fluorenyl unit can be involved in pi-electron delocalization in which the resulting oligofluorenes exhibit a very large enhancement of two-photon absorption cross sections up to 2559 GM at 710 nm.

The Source Function (SF), introduced in 1998 by Richard Bader and Carlo Gatti, is succinctly reviewed and a number of paradigmatic applications to in vacuo and crystal systems are illustrated to exemplify how the SF may be used to discuss chemical bonding in both conventional and highly challenging cases. The SF enables the electron density to be seen at a point determined by source contributio...

We report exact multielectronic ground-states dependent on electron concentration for quantum mechanical two-dimensional disordered two-band type many body models in the presence of disordered hoppings and disordered repulsive finite Hubbard interactions, in fixed lattice topology considered provided by Bravais lattices. The obtained ground-states loose their eigenfunction character for indepen...

A novel, star-shaped electron acceptor, DMTPA-PDI3, derived from a planar dimethylmethylene-bridged triphenylamine core with three acetylene-linked perylene diimide (PDI) units is developed as a nonfullerene acceptor for organic solar cells (OSCs). DMTPA-PDI3 manifests significantly reduced intramolecular twisting, enabling sufficient system-wide π-electron delocalization leading to broadened s...

Three-dimensional bulk alumina and its two-dimensional thin films show great structural diversity, posing considerable challenges to their experimental structural characterization and computational modeling. Recently, structural diversity has also been demonstrated for zero-dimensional gas phase aluminum oxide clusters. 4] Mass-selected clusters not only make systematic studies of the structura...

Electron spin resonance and ab initio electronic structure calculations show an intricate relation between molecular rotation and chemical bonding in the dilute solid solution. The unpaired electron of C59N is delocalized over several C60 molecules above 700 K, while at lower temperatures it remains localized within short range. The data suggest that below 350 K rigid C59N-C60 heterodimers are ...

We report electrochemical and spectroelectrochemical investigations on the butadienediyl-bridged diruthenium complexes [{Ru(PPh3h(CO)CI} 2(Il-C4H4)] (1), [{Ru(PEt3h(CO)Clh(~l-C4H4)] (2), and [{Ru(PPh3h (CO)CI(NCsH4COOEt-4) h(p-C4H4)] (3). All these complexes are oxidized in two consecutive one-electron steps separated by 315 to 680 mV, depending on the coligands. The first oxidation is a chemic...