Designing an Effective Metal-Free Lewis Acid Catalyst for Ammonia-Borane Dehydrogenation: A DFT Investigation on Triarylboranes,ChemCatChem

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Designing an Effective Metal-Free Lewis Acid Catalyst for Ammonia-Borane Dehydrogenation: A DFT Investigation on Triarylboranes
ChemCatChem ( IF 3.8 ) Pub Date : 2017-09-08 04:50:37 , DOI: 10.1002/cctc.201700416
Sourav Bhunya ₁ , Ankan Paul ₁

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Striking a fine balance: The effectiveness of triarylborane catalysts in ammonia-borane dehydrogenation is determined by the reactivity of the ion pair formed in situ, which is controlled by the hydride affinity of triarylboranes and the nature of solvent. By fine tuning these two factors, triarylborane catalysts effective at room temperature have been designed theoretically.

中文翻译：

设计一种有效的不含金属的路易斯酸用于氨-硼烷脱氢的催化剂：三芳基硼烷的DFT研究

达到一个很好的平衡：三芳基硼烷催化剂在氨-硼烷脱氢中的有效性取决于原位形成的离子对的反应性，而离子对的反应性受三芳基硼烷的氢化物亲和力和溶剂性质的控制。通过对这两个因素进行微调，理论上已经设计了在室温下有效的三芳基硼烷催化剂。

更新日期：2017-09-08

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