Acidic Strengths of Bronsted and Lewis Acid Sites in Solid Acids Scaled by P-31 NMR Chemical Shifts of Adsorbed Trimethylphosphine
文献类型：期刊论文
| 作者 | Chu, Yueying1; Yu, Zhiwu1; Zheng, Anmin1; Fang, Hanjun1; Zhang, Hailu2; Huang, Shing-Jong3; Liu, Shang-Bin4,5; Deng, Feng1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2011-04-21 |
| 卷号 | 115期号:15页码:7660-7667 |
| 英文摘要 | The validity of using P-31 NMR of adsorbed trimethylphosphine (TMP) as a probe molecule for discerning the types (Bronsted vs Lewis) and strengths of acid sites in solid acid catalysts have been studied by density functional theory (DFT) calculations. Bronsted acid sites with varied acidic strengths covering from weak, strong, to superacid, mimicked by 8T zeolite cluster models having different Si-H bond lengths and hence proton affinities, were examined together with Lewis acid systems having different metallic centers, e.g., BClnF3-n (n = 0-3), AlClnF3-n (n = 0-3), and TiClnF4-n (n = 0-4) and their mixed halides. The theoretical P-31 chemical shifts predicted for the hydrogen-bonded TMP center dot center dot center dot H complex and the TMPH+ adducts were -61 +/- 1 and -3 +/- 1 ppm, respectively, in good agreement with the experimental data. For the TMP-Lewis acid complex, a linear correlation between the calculated P-31 chemical shifts and corresponding binding energies was observed for the B-, Al-, and Ti-containing Lewis acids, respectively, indicating the feasibility of using the P-31 chemical shift of adsorbed TMP as a scale for Lewis acidic strength. |
| 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 |
| 关键词[WOS] | PROBE MOLECULE TRIMETHYLPHOSPHINE ; DOUBLE-RESONANCE NMR ; STATE NMR ; ZEOLITE HY ; THEORETICAL CALCULATION ; CONVERSION REACTIONS ; SURFACE MODIFICATION ; H-ZSM-5 ZEOLITES ; AB-INITIO ; MAS NMR |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000289403200061 |
| 公开日期 | 2015-12-01 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/8233]  |
| 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 | 1.Chinese Acad Sci, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan Ctr Magnet Resonance, Wuhan Inst Phys & Math, Wuhan 430071, Peoples R China 2.Chinese Acad Sci, Suzhou Inst Nanotech & Nanobion, Suzhou 215125, Peoples R China 3.Natl Taiwan Univ, Dept Chem, Taipei 10617, Taiwan 4.Acad Sinica, Inst Atom & Mol Sci, Taipei 10617, Taiwan 5.Natl Taiwan Normal Univ, Dept Chem, Taipei 11677, Taiwan |
| 推荐引用方式 GB/T 7714 | Chu, Yueying,Yu, Zhiwu,Zheng, Anmin,et al. Acidic Strengths of Bronsted and Lewis Acid Sites in Solid Acids Scaled by P-31 NMR Chemical Shifts of Adsorbed Trimethylphosphine[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2011,115(15):7660-7667. |
| APA | Chu, Yueying.,Yu, Zhiwu.,Zheng, Anmin.,Fang, Hanjun.,Zhang, Hailu.,...&Deng, Feng.(2011).Acidic Strengths of Bronsted and Lewis Acid Sites in Solid Acids Scaled by P-31 NMR Chemical Shifts of Adsorbed Trimethylphosphine.JOURNAL OF PHYSICAL CHEMISTRY C,115(15),7660-7667. |
| MLA | Chu, Yueying,et al."Acidic Strengths of Bronsted and Lewis Acid Sites in Solid Acids Scaled by P-31 NMR Chemical Shifts of Adsorbed Trimethylphosphine".JOURNAL OF PHYSICAL CHEMISTRY C 115.15(2011):7660-7667. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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