Department of Chemistry, National University of Singapore, 3 Science Drive 3, 117543, Singapore.
Molecules. 2019 Apr 12;24(8):1446. doi: 10.3390/molecules24081446.
We report a new boron dipyrromethene (BODIPY)-bridged bisphenoxyl diradicaloid (), which showed closed-shell diamagnetic character in less polar solvents such as dichloromethane but open-shell diradical character with paramagnetic activity in the very polar solvent ,-dimethylformamide. X-ray crystallographic analysis of revealed an anti-parallel stacked dimer structure via intermolecular dipole-dipole interaction, and the observed solvent-dependent diradical character can be explained by the different dihedral angles between the phenoxyl units and the BODIPY bridge, and structural flexibility of the molecule in different solvents. Compound also exhibited solvent-dependent optical and electrochemical properties.
我们报告了一种新的硼二吡咯亚甲基（BODIPY）桥联双酚氧二自由基（），它在非极性溶剂如二氯甲烷中表现出闭壳抗磁性特征，但在非常极性的溶剂二甲基甲酰胺中具有开壳自由基特征和顺磁性活性。对揭示了通过分子间偶极-偶极相互作用形成的反平行堆积二聚体结构，观察到的溶剂依赖性自由基特征可以用酚氧基单元和 BODIPY 桥之间的不同二面角以及分子在不同溶剂中的结构灵活性来解释。化合物还表现出溶剂依赖性的光学和电化学性质。
