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题名: Al-27 MAS NMR Studies of HBEA Zeolite at Low to High Magnetic Fields
作者: Hu, Jian Zhi1, 2;  Wan, Chuan1, 2;  Vjunov, Aleksei1, 2;  Wang, Meng1, 2;  Zhao, Zhenchao1, 2, 5;  Hu, Mary Y.1, 2;  Camaioni, Donald M.1, 2;  Lercher, Johannes A.1, 2, 3, 4
刊名: JOURNAL OF PHYSICAL CHEMISTRY C
发表日期: 2017-06-15
DOI: 10.1021/acs.jpcc.7b03517
卷: 121, 页:12849-12854
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science
英文摘要: Al-27 single pulse (SP) MAS NMR :spectra,of RUA zeolites With high. Si/AL ratios of 71 and were obtained at three magnetic field strengths of 7.05, 11.75, and 19.97 T. High field Al-27 MAS NMR spectra acquired at 19.97 T show significantly improved spectral resolution, resulting in at least two well-resolved tetrahedral-Al NMR peaks. Based on, the results obtained from Al-27 MAS and MQMAS NMR, acquired at 19,97 T,four different, quadrupole peaks are used to deconvolute the Al-27 SP MAS spectra acquired at various fields by using the, same set of quadrupole coupling constants, asymmetric parameters and relative integrated peak intensities for the tetrahedral Al peaks. The line shapes of individual peaks change from typical quadrupole line shape at low field to essentially symmetrical line shapes at high field. We demonstrate,thatt for fully, hydrated HBEA zeolites, the effect of second order quadrupole interaction can be ignored, and quantitative spectral analysis can be, erformed by directly fitting the high field, spectra using mixed Gaussian/Lorentzian line shapes. Also, the analytical steps described in our work,allOw direct assignment of spectral intensity to individual Al tetrahedral sites (T-Sites) of zeolite HBEA. Finally, the proposed concept is suggested to be generally applicable to other zeolite framework types, thus allowing a direct probing of Al distributioUs by NMR spectroscopic methods in zeolites with high confidence.
关键词[WOS]: SOLID-STATE NMR ;  HOT LIQUID WATER ;  FRAMEWORK ;  ALUMINUM ;  BETA ;  CATALYSTS ;  IMPACT ;  SITES ;  MQMAS ;  BEA
语种: 英语
WOS记录号: WOS:000403731700039
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/152104
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Pacific Northwest Natl Lab Richland, Inst Integrated Catalysis, Washington, DC 99354 USA
2.Pacific Northwest Natl Lab Richland, Fundamental & Computat Sci Directorate, Washington, DC 99354 USA
3.Tech Univ Munich, Dept Chem, Lichtenbergstr 4, D-85748 Garching, Germany
4.Tech Univ Munich, Catalysis Res Inst, Lichtenbergstr 4, D-85748 Garching, Germany
5.Chinese Acad Sci, Dalian Inst Chem Phys, 457 Zhongshan Rd, Dalian 116023, Peoples R China

Recommended Citation:
Hu, Jian Zhi,Wan, Chuan,Vjunov, Aleksei,et al. Al-27 MAS NMR Studies of HBEA Zeolite at Low to High Magnetic Fields[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2017,121:12849-12854.
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