WIPM OpenIR  > 2011年以前论文发表(包括2011年)
Bronsted/Lewis acid synergy in dealuminated HY zeolite: A combined solid-state NMR and theoretical calculation study
Li, Shenhui; Zheng, Anmin; Su, Yongchao; Zhang, Hailu; Chen, Lei; Yang, Jun; Ye, Chaohui; Deng, Feng
2007-09-12
Source PublicationJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume129Issue:36Pages:11161-11171
SubtypeArticle
AbstractThe Bronsted/Lewis acid synergy in dealuminated HY zeolite has been studied using solid-state NMR and density function theory (DFT) calculation. The (1)H double quantum magic-angle spinning (DQ-MAS) NMR results have revealed, for the first time, the detailed spatial proximities of Lewis and Bronsted acid sites. The results from (13)C NMR of adsorbed acetone as well as DFT calculation demonstrated that the Bronsted/Lewis acid synergy considerably enhanced the Bronsted acid strength of dealuminated HY zeolite. Two types of Bronsted acid sites (with enhanced acidity) in close proximity to extra-framework aluminum (EFAL) species were identified in the dealuminated HY zeolite. The NMR and DFT calculation results further revealed the detailed structures of EFAL species and the mechanism of Bronsted/Lewis acid synergy. Extra-framework Al(OH)(3) and Al(OH)(2+) species in the supercage cage and Al(OH)(2+) species in the sodalite cage are the preferred Lewis acid sites. Moreover, it is the coordination of the EFAL species to the oxygen atom nearest the framework aluminum that leads to the enhanced acidity of dealuminated HY zeolite though there is no direct interaction (such as the hydrogen-bonding) between the EFAL species and the Bronsted acid sites. All these findings are expected to be important in understanding the roles of Lewis acid and its synergy with the Bronsted acid in numerous zeolite-mediated hydrocarbon reactions.
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.1021/ja072767y
WOS KeywordNUCLEAR-MAGNETIC-RESONANCE ; EXTRA-FRAMEWORK ALUMINUM ; DENSITY-FUNCTIONAL THEORY ; C-13 CHEMICAL-SHIFT ; Y-TYPE ZEOLITES ; AL-27 MAS NMR ; IN-SITU NMR ; NONFRAMEWORK ALUMINUM ; PROTON-TRANSFER ; CARBENIUM IONS
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000249372400051
Citation statistics
Cited Times:205[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.wipm.ac.cn/handle/112942/7801
Collection2011年以前论文发表(包括2011年)
AffiliationChinese Acad Sci, Wuhan Inst Phys & Math, Wuhan Ctr Magnet Resonance, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China
Recommended Citation
GB/T 7714
Li, Shenhui,Zheng, Anmin,Su, Yongchao,et al. Bronsted/Lewis acid synergy in dealuminated HY zeolite: A combined solid-state NMR and theoretical calculation study[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2007,129(36):11161-11171.
APA Li, Shenhui.,Zheng, Anmin.,Su, Yongchao.,Zhang, Hailu.,Chen, Lei.,...&Deng, Feng.(2007).Bronsted/Lewis acid synergy in dealuminated HY zeolite: A combined solid-state NMR and theoretical calculation study.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,129(36),11161-11171.
MLA Li, Shenhui,et al."Bronsted/Lewis acid synergy in dealuminated HY zeolite: A combined solid-state NMR and theoretical calculation study".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129.36(2007):11161-11171.
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