Experimental and Computational Study on Photophysical Properties of Mesoionic Chalcogenones |
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| Authors: | Chubin Hu Shiqing Huang Zengyu Zhang Haidan Yao Yixin Wu Linwei Huang Prof Xiaoyu Yan |
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| Institution: | 1. Key Laboratory of Advanced Light Conversion Materials and Biophotonics, Department of Chemistry, Renmin University of China, Beijing, 100872 P. R. China
These authors contributed equally to this work.;2. Key Laboratory of Advanced Light Conversion Materials and Biophotonics, Department of Chemistry, Renmin University of China, Beijing, 100872 P. R. China |
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| Abstract: | N-Heterocyclic carbene adducts with main group elements (NHC=E) have aroused great interest and have been widely investigated in coordination chemistry. Among them, N-heterocyclic carbene adducts with chalcogens (NHC=Ch) have been known for a long time. Their investigations mostly focused on synthesis, coordination chemistry and electrochemistry. Their photophysical properties still remain unexplored. In this work, the photophysical properties of mesoionic carbene adducts with sulfur and selenium have been investigated both in solution and solid state. These compounds showed blue fluorescence in dichloromethane. While in solid state, orange to red room-temperature phosphorescence can be observed, and dual emission was found in mesoionic thiones. Furthermore, time-dependent density functional theory (TD-DFT) calculations were used to obtain insights into the luminescent mechanism. |
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| Keywords: | mesoionic carbine chalcogen adduct dual emission room-temperature phosphorescence |
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