Carborane‐Decorated Siloles with Highly Efficient Solid‐State Emissions – What Drives the Photophysical Properties?

Szathmári, Balázs and Hessz, Dóra and Zámbó, Dániel and Bruhn, Clemens and Pietschnig, Rudolf and Udvardy, Antal and Szabó, Pál and Holczbauer, Tamás and Balogh, Marcell J. and Kelemen, Zsolt (2025) Carborane‐Decorated Siloles with Highly Efficient Solid‐State Emissions – What Drives the Photophysical Properties? Chemistry – A European Journal, 31 (16). No.-e202404462. ISSN 0947-6539

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Abstract

New hybrids were synthesised by linking carboranes and siloles,both of which are known as aggregation-induced emissionactive units. Although most of the newly synthesised systemsdo not display notable quantum yield either in solution or inthe aggregated state, they emit strongly in the solid-state, anda quantum yield of up to 100 % can be achieved. The tailorablequantum yield can be attributed to the packing of themolecules in the crystal lattice ruled by the carborane andphenyl moieties according to the SC-XRD data. Our experimen-tal results, complemented by density functional theory calcu-lations, show that the silole moiety primarily influences thephotophysical properties. At the same time, the carboraneserves as a steric building block without direct responsibility forthe aggregation-induced emission property. The patterns ofsubstituents can alter the absorption and emission properties

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