NMR and theoretical studies of boron-modified mordenite
文献类型：期刊论文
| 作者 | Chen, L; Zhang, MJ; Yue, Y; Ye, CH; Deng, F |
| 刊名 | MICROPOROUS AND MESOPOROUS MATERIALS
 |
| 出版日期 | 2004-12-01 |
| 卷号 | 76期号:1-3页码:151-156 |
| 关键词 | mordenite boron isomorphous substitution MAS NMR ab initio |
| 英文摘要 | The state of boron in the boron-modified mordenite has been investigated by B-11 NMR and quantum chemical calculation. Two different kinds of boron species in tetrahedral coordination are clearly observed in the two-dimensional (2D) B-11 triple-quantum (3Q) magic-angle spinning nuclear magnetic resonance (MAS NMR) spectra. The signal at -3.1 ppm is due to the normal four-coordinated framework boron species, while that at 0.3ppm is attributed to a new kind of four-coordinated framework boron species. The association of the new tetrahedral BO4 unit with the framework of mordenite is confirmed using B-11 {Si-29} rotational echo double resonance (REDOR) experiment, and its detailed structure is determined by ab initio calculation, which suggests that the new tetrahedral BO4 is connected to two hydroxyl groups, in the form Of (OSi)(2)B(OH)(2). The calculated isotropic B chemical shifts of the two tetrahedral boron species are in good agreement with the experimental values. (C) 2004 Elsevier Inc. All rights reserved. |
| WOS标题词 | Science & Technology ; Physical Sciences ; Technology |
| 类目[WOS] | Chemistry, Applied ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary |
| 研究领域[WOS] | Chemistry ; Science & Technology - Other Topics ; Materials Science |
| 关键词[WOS] | ISOMORPHOUSLY SUBSTITUTED ZSM-5 ; AB-INITIO ; CHEMICAL-SHIFTS ; ZEOLITE ZSM-5 ; VAPOR-PHASE ; SPECTRA ; SI-29 ; ACID ; AL ; SPINS |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000225255100019 |
| 公开日期 | 2015-12-08 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/9012]  |
| 专题 | 武汉物理与数学研究所_2011年以前论文发表（包括2011年） |
| 作者单位 | Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, L,Zhang, MJ,Yue, Y,et al. NMR and theoretical studies of boron-modified mordenite[J]. MICROPOROUS AND MESOPOROUS MATERIALS,2004,76(1-3):151-156. |
| APA | Chen, L,Zhang, MJ,Yue, Y,Ye, CH,&Deng, F.(2004).NMR and theoretical studies of boron-modified mordenite.MICROPOROUS AND MESOPOROUS MATERIALS,76(1-3),151-156. |
| MLA | Chen, L,et al."NMR and theoretical studies of boron-modified mordenite".MICROPOROUS AND MESOPOROUS MATERIALS 76.1-3(2004):151-156. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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