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

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 磁共振应用研究部

	Insight into the formation of the tert-butyl cation confined inside H-ZSM-5 zeolite from NMR spectroscopy and DFT calculations
	Huang, Mengdi 1,2; Wang, Qiang 1; Yi, Xianfeng 1,2; Chu, Yueying 1; Dai, Weili 3; Li, Landong 3; Zheng, Anmin 1; Deng, Feng 1
刊名	CHEMICAL COMMUNICATIONS
	2016
卷号	52 期号:70 页码:10606-10608
英文摘要	Solid-state NMR experiments and DFT calculations have been carried out to determine the complex structures of coadsorbed C-13-labeled tert-butanol and NH3 in acidic H-ZSM-5 zeolite. It is found, besides the physically adsorbed tert-butanol/NH4+ complex on Bronsted acid sites, the tert-butylamine cation is formed as well, confirming the presence of the tert-butyl cation confined in zeolite channels. Furthermore, C-13-Al-27 double-resonance solid-state NMR spectroscopy is adopted to determine the host/guest interaction between the carbocation and the zeolite framework.
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Chemistry, Multidisciplinary
研究领域[WOS]	Chemistry
关键词[WOS]	CONVERSION ; IDENTIFICATION ; DEHYDRATION ; CHEMISTRY ; ALCOHOLS ; CRACKING ; OLEFINS ; ION ; H-2 ; HY
收录类别	SCI
语种	英语
WOS记录号	WOS:000382121000002
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/9575]
专题	武汉物理与数学研究所_磁共振应用研究部
作者单位	1.Chinese Acad Sci, Wuhan Inst Phys & Math, Natl Ctr Magnet Resonance Wuhan, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Nankai Univ, Minist Educ, Collaborat Innovat Ctr Chem Sci & Engn, Key Lab Adv Energy Mat Chem, Tianjin 300071, Peoples R China
推荐引用方式 GB/T 7714	Huang, Mengdi,Wang, Qiang,Yi, Xianfeng,et al. Insight into the formation of the tert-butyl cation confined inside H-ZSM-5 zeolite from NMR spectroscopy and DFT calculations[J]. CHEMICAL COMMUNICATIONS,2016,52(70):10606-10608.
APA	Huang, Mengdi.,Wang, Qiang.,Yi, Xianfeng.,Chu, Yueying.,Dai, Weili.,...&Deng, Feng.(2016).Insight into the formation of the tert-butyl cation confined inside H-ZSM-5 zeolite from NMR spectroscopy and DFT calculations.CHEMICAL COMMUNICATIONS,52(70),10606-10608.
MLA	Huang, Mengdi,et al."Insight into the formation of the tert-butyl cation confined inside H-ZSM-5 zeolite from NMR spectroscopy and DFT calculations".CHEMICAL COMMUNICATIONS 52.70(2016):10606-10608.