Carborane-decorated siloles with highly efficient solid-state emissions - what drives the photophysical properties?

New hybrids were synthesised by linking carboranes and siloles, both of which are known as aggregation-induced emission active units. Although most of the newly synthesised systems do not display notable quantum yield either in solution or in the aggregated state, they emit strongly in the solid-state, and a quantum yield of up to 100% can be achieved. The tailorable quantum yield can be attributed to the packing of the molecules in the crystal lattice ruled by the carborane and phenyl moieties according to the SC-XRD data.

Revisiting Hafner's Azapentalenes: The Chemistry of 1,3-Bis(dimethylamino)-2-azapentalene.

Stable azaheterocyclic derivatives of pentalene have been reported by the group of Hafner in the 1970s. However, these structures remained of low interest until recently, when they started to be investigated in the context of organic light-emitting diodes' (OLEDs') development. Herein, we revisit the synthesis of stable azapentalene derivative 1,3-bis(dimethylamino)-2-azapentalene and further explore its properties both computationally and experimentally.

Synthesis, crystal structure and Hirshfeld surface analysis of bromido-tetra-kis-[5-(prop-2-en-1-yl-sulf-an-yl)-1,3,4-thia-diazol-2-amine-κ]copper(II) bromide.

A novel cationic complex, bromido-tetra-kis-[5-(prop-2-en-1-ylsulfan-yl)-1,3,4-thia-diazol-2-amine-κ ]copper(II) bromide, [CuBr](CHNS)Br, was synthesized. The complex crystallizes with fourfold mol-ecular symmetry in the tetra-gonal space group 4/. The Cu atom exhibits a square-pyramidal coord-ination geometry.

An Exploration of Substituent Effects on the Photophysical Properties of Monobenzopentalenes.

Monobenzopentalenes have received moderate attention compared to dibenzopentalenes, yet their accessibility as stable, non-symmetric structures with diverse substituents could be interesting for materials applications, including molecular photonics. Recently, monobenzopentalene was considered computationally as a potential chromophore for singlet fission (SF) photovoltaics. To advance this compound class towards photonics applications, the excited state energetics must be characterized, computationally and experimentally.