Ligand Lability Driven by Metal-to-Borane Pseudorotation: A Mechanism for Ligand Exchange,Inorganic Chemistry

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Ligand Lability Driven by Metal-to-Borane Pseudorotation: A Mechanism for Ligand Exchange
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2020-12-04 , DOI: 10.1021/acs.inorgchem.0c02205
Jonathan Bould _{1,

2} , Oleg Tok ₁ , Vincenzo Passarelli ₂ , Michael G. S. Londesborough ₁ , Ramón Macías ₂

Affiliation

The discovery of systems that interact with small molecules plays a vital facilitating role in the development of devices that show sensitivity to their surroundings and an ability to quickly relay chemical and physical information. Herein, we report on the reaction of [NiCl₂(dppe)] with decaborane that produces in usable yield a new 11-vertex nickelaborane, [7,7-(dppe)-nido-7-NiB₁₀H₁₂] (1), which shows interesting reactivity and functionality toward carbon monoxide and ethylisonitrile. This contribution describes the synthesis and full structural characterization of 1 and its small-molecule EtNC and CO adducts, 2 and 3, and delineates the dynamic molecular behavior of all of these species in solution. This information sets a foundation from which more advanced work on this and related metallaborane systems can be conceived and provides a more general reference to how NMR spectroscopy, combined with DFT calculations, can be used to analyze the precise locomotion of labile ligands around a metal center held within a borane cluster.

中文翻译：

金属到硼假旋转驱动的配体不稳定性：配体交换的机制

与小分子相互作用的系统的发现在开发对周围环境敏感并能够快速传递化学和物理信息的设备的开发中起着至关重要的促进作用。在这里，我们报道[NiCl ₂（dppe）]与十硼烷的反应，该反应可产生有用的产率的新11顶点镍硼烷[7,7-（dppe）-氨基-7-NiB ₁₀ H ₁₂ ]（1），对一氧化碳和乙腈具有有趣的反应性和功能性。该贡献描述了1及其小分子EtNC和CO加合物2和3的合成和完整结构表征，并描述了溶液中所有这些物质的动态分子行为。该信息奠定了基础，可以据此构想有关该金属及其相关体系的更高级的工作，并为NMR光谱结合DFT计算如何用于分析金属中心周围不稳定配体的精确运动提供了更广泛的参考。保持在硼烷簇中。

更新日期：2020-12-21

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