Szathmári Balázs, Hessz Dóra, Zámbó Dániel, Bruhn Clemens, Pietschnig Rudolf, Udvardy Antal, Szabó Pál, Holczbauer Tamás, Balogh Marcell J, Kelemen Zsolt
Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Műegyetem rkp. 3, H-1111, Budapest, Hungary.
Department of Physical Chemistry and Materials Science and MTA-BME Lendület Quantum Chemistry Research Group, Budapest University of Technology and Economics, Műegyetem rkp. 3, H-1111, Budapest, Hungary.
Chemistry. 2025 Mar 17;31(16):e202404462. doi: 10.1002/chem.202404462. Epub 2025 Jan 28.
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. Our experimental results, complemented by density functional theory calculations, show that the silole moiety primarily influences the photophysical properties. At the same time, the carborane serves as a steric building block without direct responsibility for the aggregation-induced emission property. The patterns of substituents can alter the absorption and emission properties.
通过连接碳硼烷和硅杂环戊二烯合成了新型杂化物，这两者均为已知的聚集诱导发光活性单元。尽管大多数新合成的体系在溶液或聚集态下均未显示出显著的量子产率，但它们在固态下强烈发光，并且可以实现高达100%的量子产率。根据单晶X射线衍射（SC-XRD）数据，可定制的量子产率可归因于由碳硼烷和苯基部分在晶格中所决定的分子堆积。我们的实验结果，辅以密度泛函理论计算，表明硅杂环戊二烯部分主要影响光物理性质。同时，碳硼烷作为空间构建单元，对聚集诱导发光性质没有直接影响。取代基的模式可以改变吸收和发射性质。
