A stable triplet diradical emitter |
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| Authors: | Zhongtao Feng Yuanyuan Chong Shuxuan Tang Yong Fang Yue Zhao Jun Jiang Xinping Wang |
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| Affiliation: | State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Collaborative Innovation Centre of Advanced Microstructures, Nanjing University, Nanjing 210023 China.; Hefei National Laboratory for Physical Sciences at the Microscale, CAS Center for Excellence in Nanoscience, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei Anhui 230026 China, |
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| Abstract: | Molecules with luminescence have been extensively investigated, but the luminescence of a stable molecule with a triplet ground state has not been observed. Synthesis of boron-containing radicals has attracted lots of interest because of their unique electronic structures and potential applications in organic semiconductors. Though some boron-based diradicals have been reported, neutral boron-containing diradicals with triplet ground states are rare. Herein two borocyclic diradicals with different substituents (3 and 4) have been isolated. Their electronic structures were investigated by EPR and UV spectroscopy, and SQUID magnetometry, in conjunction with DFT calculations. Both experiment and calculation suggest that 3 is an open shell singlet diradical while 4 is a triplet ground state diradical with a large singlet–triplet gap (0.25 kcal mol−1). Both diradicals show multi fluorescence peaks (3: 414, 431, and 470 nm; 4: 420, 433, and 495 nm). 3 displays multiple redox steps and is a potential material towards the design of high-density memory devices. 4 represents the first example of a neutral triplet boron-containing diradical with a strong ferromagnetic interaction, and also is the first stable triplet diradical emitter.Stable borocyclic diradical emitters with a tunable ground state. |
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