A Genetic Algorithmic Approach to Determine the Structure of Li-Al Layered Double Hydroxides.

Layered double hydroxides (LDH) demonstrate significant potential across a range of applications, including as catalysts, delivery vehicles for pharmaceuticals, environmental remediation, and supercapacitors. Explaining the mechanism of LDH action at the atomic scale in these and other applications is challenging, however, due to the difficulty in precisely defining the bulk and surface structure and chemical compositions. Here, we focus on the determination of the structure of lithium-aluminum (Li-Al) LDH, which has shown promise in the catalytic depolymerization of lignin, both directly as the catalyst and as a support for gold nanoparticles.

Rational Functionalization of a C Buckybowl To Enable a C:Buckybowl Cocrystal for Organic Semiconductor Applications.

Fullerene fragments, referred to as buckybowls, are garnering interest due to their distinctive molecular shapes and optoelectronic properties. Here, we report the synthesis and characterization of a novel C subunit, diindeno[4,3,2,1-:4',3',2',1'-]perylene, that is substituted with either triethylsilyl(TES)-ethynyl or 2,4,6-triisopropylphenyl groups at the -positions. The resulting compounds ( and ) display a bowl-to-bowl inversion at room temperature.

Triperyleno[3,3,3]propellane triimides: achieving a new generation of quasi- symmetric nanostructures in organic electronics.

Rigid three-dimensional (3D) polycyclic aromatic hydrocarbons (PAHs), in particular 3D nanographenes, have garnered interest due to their potential use in semiconductor applications and as models to study through-bond and through-space electronic interactions. Herein we report the development of a novel 3D-symmetric rylene imide building block, triperyleno[3,3,3]propellane triimides (), that possesses three perylene monoimide subunits fused on a propellane. This building block shows several promising characteristics, including high solubility, large π-surfaces, electron-accepting capabilities, and a variety of reactive sites.