Issue 70, 2016
From the journal:

Chemical Communications

Insight into the formation of the tert-butyl cation confined inside H-ZSM-5 zeolite from NMR spectroscopy and DFT calculations†

Mengdi Huang,‡ab   Qiang Wang,‡a   Xianfeng Yi,‡ab   Yueying Chu,a   Weili Dai,c   Landong Li,c   Anmin Zheng*a  and  Feng Deng*a  

* Corresponding authors

a State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, the Chinese Academia of Sciences, Wuhan 430071, P. R. China
E-mail: zhenganm@wipm.ac.cn, dengf@wipm.ac.cn

b University of Chinese Academy of Sciences, Beijing 100049, P. R. China

c Key Laboratory of Advanced Energy Materials Chemistry of Ministry of Education, Collaborative Innovation Center of Chemical Science and Engineering, Nankai University, Tianjin 300071, P. R. China

Abstract

Solid-state NMR experiments and DFT calculations have been carried out to determine the complex structures of coadsorbed 13C-labeled tert-butanol and NH3 in acidic H-ZSM-5 zeolite. It is found, besides the physically adsorbed tert-butanol/NH4+ complex on Brønsted acid sites, the tert-butylamine cation is formed as well, confirming the presence of the tert-butyl cation confined in zeolite channels. Furthermore, 13C–27Al double-resonance solid-state NMR spectroscopy is adopted to determine the host/guest interaction between the carbocation and the zeolite framework.

Graphical abstract: Insight into the formation of the tert-butyl cation confined inside H-ZSM-5 zeolite from NMR spectroscopy and DFT calculations

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Article information

DOI
https://doi.org/10.1039/C6CC04943E
Article type
Communication
Submitted
14 Jun 2016
Accepted
05 Jul 2016
First published
05 Jul 2016

Chem. Commun., 2016,52, 10606-10608

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Insight into the formation of the tert-butyl cation confined inside H-ZSM-5 zeolite from NMR spectroscopy and DFT calculations

M. Huang, Q. Wang, X. Yi, Y. Chu, W. Dai, L. Li, A. Zheng and F. Deng, Chem. Commun., 2016, 52, 10606 DOI: 10.1039/C6CC04943E

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