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Intramolecular Communication in Anionic Oxidized Phosphanes through a Chelated Proton

机译:通过螯合质子在阴离子氧化磷中的分子内通讯

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摘要

Oxidation of the 1,2-(PR2)(2)-1,2-closo-C2B10H10 (R=Ph, iPr) platform with hydrogen peroxide in acetone is a two-step procedure in which partial deboronation of the closo cluster and oxidation of the phosphorus atoms occur. Based on NMR spectroscopic and kinetic data, we demonstrate that the phosphorus atoms are oxidized in the first step, followed by cluster deboronation. DFT calculations and natural-bond orbital (NBO) analysis were used to obtain insight into the electronic structures of diphosphane ortho-carborane derivatives.
机译:在丙酮中用过氧化氢氧化1,2-(PR2)(2)-1,2-closo-C2B10H10(R = Ph,iPr)平台是一个两步过程,其中closo簇的部分脱硼和氧化发生了磷原子。基于NMR光谱和动力学数据,我们证明了第一步中的磷原子被氧化,然后发生簇脱硼。使用DFT计算和自然键轨道(NBO)分析来深入了解二膦正碳烷衍生物的电子结构。

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