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NMR及理论计算证明ZSM-5分子筛中叔丁基碳正离子的存在
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论文题目:Identification of tert-butyl cation in H-ZSM-5 zeolite: Evidence from NMR spectroscopy and DFT calculations
论文作者:Weili Dai †, Chuanming Wang †, Xianfeng Yi, Anmin Zheng, Landong Li*, Guangjun Wu, Naijia Guan, Zaiku Xie*, Michael Dyballa, Michael Hunger*
发表期刊:Angew Chem Int Ed, 2015, 54: 8783-8786   [ pdf ]



论文摘要:Experimental evidence for the presence of tert-butyl cations, which are important intermediates in acid-catalyzed heterogeneous reactions, on solid acids has still not been provided to date. By combining density functional theory (DFT) calculations with 1H/13C magic-angle-spinning NMR spectroscopy, the tert-butyl cation was successfully identified on zeolite H-ZSM-5 upon conversion of isobutene by capturing this intermediate with ammonia.