Relationship between H-1 chemical shifts of deuterated pyridinium ions and bronsted acid strength of solid acids
文献类型：期刊论文
| 作者 | Zheng, Anmin; Zhang, Hailu; Chen, Lei; Yue, Yong; Ye, Chaohui; Deng, Feng |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2007-03-29 |
| 卷号 | 111期号:12页码:3085-3089 |
| 英文摘要 | Deuterated pyridine (pyridine-d(5)) is one of the NMR probe molecules widely used for determination of acid strength of solid catalysts. However, the correlation between the H-1 chemical shift of adsorbed pyridine-d(5) and the Bronsted acid strength of solid acids has rarely been investigated. Here, an 8T zeolite model with different Si-H bond lengths is used to represent the Bronsted acid sites with different strengths (from weak, strong, to superacid) and to predict the pyridine adsorption structure as well as the H-1 chemical shift. The theoretical calculation suggests that a smaller H-1 chemical shift of the pyridinium ions on the solid acids indicates a stronger acid strength. On the basis of the results of theoretical calculations, a linear correlation between the pyridine-d(5) H-1 chemical shift and the proton affinity (PA) of the Bronsted acid site has been derived. In combination with the available H-1 MAS NMR experimental data, we conclude that pyridine-d(5) can be used as a scale to characterize the solid acid strength. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | STATE NMR-SPECTROSCOPY ; ZEOLITE MCM-22 ; TRIMETHYLPHOSPHINE OXIDE ; THEORETICAL CALCULATION ; DEHYDRATED ZEOLITE ; PROTON AFFINITIES ; MOLECULAR-SIEVE ; PROBE MOLECULE ; AB-INITIO ; ZSM-5 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000245083700004 |
| 公开日期 | 2015-10-13 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/7947]  |
| 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 | Zheng, Anmin,Zhang, Hailu,Chen, Lei,et al. Relationship between H-1 chemical shifts of deuterated pyridinium ions and bronsted acid strength of solid acids[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2007,111(12):3085-3089. |
| APA | Zheng, Anmin,Zhang, Hailu,Chen, Lei,Yue, Yong,Ye, Chaohui,&Deng, Feng.(2007).Relationship between H-1 chemical shifts of deuterated pyridinium ions and bronsted acid strength of solid acids.JOURNAL OF PHYSICAL CHEMISTRY B,111(12),3085-3089. |
| MLA | Zheng, Anmin,et al."Relationship between H-1 chemical shifts of deuterated pyridinium ions and bronsted acid strength of solid acids".JOURNAL OF PHYSICAL CHEMISTRY B 111.12(2007):3085-3089. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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