Flash Communication: Crystalline Boron-Centered Radical Cation Stabilized by Diphosphine-Substituted closo-Hexaborate

IF 2.9 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Organometallics Pub Date : 2025-08-26 DOI:10.1021/acs.organomet.5c00247

Penglong Wang, and , Rei Kinjo*,

引用次数: 0

Abstract

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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闪光通信：由二膦取代的近六硼酸盐稳定的晶体硼中心自由基阳离子

通过还原反应，合成了由二膦取代的近六硼酸盐簇稳定的硼中心自由基阳离子(2)，并对其进行了表征。单晶x射线衍射、电子顺磁共振（EPR）光谱和密度泛函理论（DFT）计算表明，2中的未配对电子主要位于三坐标硼中心，自旋密度高达0.767。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Organometallics 化学-无机化学与核化学

CiteScore

5.60

自引率

7.10%

发文量

382

审稿时长

1.7 months

期刊介绍： Organometallics is the flagship journal of organometallic chemistry and records progress in one of the most active fields of science, bridging organic and inorganic chemistry. The journal publishes Articles, Communications, Reviews, and Tutorials (instructional overviews) that depict research on the synthesis, structure, bonding, chemical reactivity, and reaction mechanisms for a variety of applications, including catalyst design and catalytic processes; main-group, transition-metal, and lanthanide and actinide metal chemistry; synthetic aspects of polymer science and materials science; and bioorganometallic chemistry.