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New Insight into the Hydrocarbon-Pool Chemistry of the Methanol-to-Olefins Conversion over Zeolite H-ZSM-5 from GC-MS, Solid-State NMR Spectroscopy, and DFT Calculations
Wang, Chao1; Chu, Yueying1; Zheng, Anmin1; Xu, Jun1; Wang, Qiang1; Gao, Pan1; Qi, Guodong1; Gong, Yanjun2; Deng, Feng1
2014-09-22
Source PublicationCHEMISTRY-A EUROPEAN JOURNAL
Volume20Issue:39Pages:12432-12443
SubtypeArticle
AbstractOver zeolite H-ZSM-5, the aromatics-based hydrocarbon-pool mechanism of methanol-to-olefins (MTO) reaction was studied by GC-MS, solid-state NMR spectroscopy, and theoretical calculations. Isotopic-labeling experimental results demonstrated that polymethylbenzenes (MBs) are intimately correlated with the formation of olefin products in the initial stage. More importantly, three types of cyclopentenyl cations (1,3-dimethylcyclopentenyl, 1,2,3-trimethylcyclopentenyl, and 1,3,4-trimethylcyclopentenyl cations) and a pentamethylbenzenium ion were for the first time identified by solid-state NMR spectroscopy and DFT calculations under both co-feeding ([C-13(6)]benzene and methanol) conditions and typical MTO working (feeding [C-13]methanol alone) conditions. The comparable reactivity of the MBs (from xylene to tetramethylbenzene) and the carbocations (trimethylcyclopentenyl and pentamethylbenzium ions) in the MTO reaction was revealed by C-13-labeling experiments, evidencing that they work together through a paring mechanism to produce propene. The paring route in a full aromatics-based catalytic cycle was also supported by theoretical DFT calculations.
KeywordCarbocations Olefins Reaction Mechanisms Solid-state Nmr Spectroscopy Zeolites
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.1002/chem.201403972
WOS KeywordSURFACE METHOXY GROUPS ; REACTION-MECHANISM ; H-BETA ; HEPTAMETHYLBENZENIUM CATION ; AROMATIC-HYDROCARBONS ; CATALYTIC CONVERSION ; REACTION CENTERS ; DIMETHYL ETHER ; MTO REACTION ; CO-REACTION
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000342626200015
Citation statistics
Cited Times:82[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.apm.ac.cn/handle/112942/1424
Collection磁共振应用研究部
Affiliation1.Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan Ctr Magnet Resonance, State Key Lab Magnet Resonance & Atom Mol Phys, Wuhan 430071, Peoples R China
2.China Univ Petr, CNPC Key Lab Catalysis, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China
Recommended Citation
GB/T 7714
Wang, Chao,Chu, Yueying,Zheng, Anmin,et al. New Insight into the Hydrocarbon-Pool Chemistry of the Methanol-to-Olefins Conversion over Zeolite H-ZSM-5 from GC-MS, Solid-State NMR Spectroscopy, and DFT Calculations[J]. CHEMISTRY-A EUROPEAN JOURNAL,2014,20(39):12432-12443.
APA Wang, Chao.,Chu, Yueying.,Zheng, Anmin.,Xu, Jun.,Wang, Qiang.,...&Deng, Feng.(2014).New Insight into the Hydrocarbon-Pool Chemistry of the Methanol-to-Olefins Conversion over Zeolite H-ZSM-5 from GC-MS, Solid-State NMR Spectroscopy, and DFT Calculations.CHEMISTRY-A EUROPEAN JOURNAL,20(39),12432-12443.
MLA Wang, Chao,et al."New Insight into the Hydrocarbon-Pool Chemistry of the Methanol-to-Olefins Conversion over Zeolite H-ZSM-5 from GC-MS, Solid-State NMR Spectroscopy, and DFT Calculations".CHEMISTRY-A EUROPEAN JOURNAL 20.39(2014):12432-12443.
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