The reduction reaction produced a boron-centered radical cation, suggesting insights into electron localization and spin density.
By the reduction reaction, a boron-center radical cation (2) stabilized by a diphosphine-substituted closo-hexaborate cluster has been synthesized and fully characterized. Single-crystal X-ray diffraction, electron paramagnetic resonance (EPR) spectroscopy, and density functional theory (DFT) calculations reveal that the unpaired electron in 2 predominantly resides on the tricoordinate boron center with the high spin density of 0.767.
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Wang et al. (2025) studied this question.
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