A joint experimental-theoretical study on trimethylphosphine adsorption on the Lewis acidic sites present in TS-1 zeolite
文献类型：期刊论文
| 作者 | Yang, Gang1,2; Zhuang, Jianqin3,4,5; Ma, Ding1; Lan, Xijie1; Zhou, Lijun2; Liu, Xianchun1; Han, Xiuwen1; Bao, Xinhe1 |
| 刊名 | journal of molecular structure
 |
| 出版日期 | 2008-06-30 |
| 卷号 | 882期号:1-3页码:24-29 |
| 关键词 | density functional catalysis Lewis acid MAS NMR zeolite |
| 产权排序 | 1;1 |
| 通讯作者 | 杨刚 |
| 英文摘要 | p-31 mas nmr desorption experiments and density functional calculations were combined to study the interactions between ts-1 zeolite and probe molecules. two types of lewis acidic sites at -34.2 and -32.0 ppm in the p-31 mas nmr spectra were identified, which correspond to the ti(osio3)(4) and (osio3)(3)ti(oh) species with the ti atoms at the t12 sites. trimethylphosphine (tmp) was chemisorbed on the lewis acidic sites with the adsorption energies calculated to be - 6.2 and - 19.6 kj mol(-1), respectively. on all the other t sites, tmp was physisorbed with slightly positive adsorption energies, in the range 0.82-5.92 kj mol(-1). the two types of lewis acidic sites are responsible for the catalytic reaction of tmp oxidation, with their catalytic activities explained by structural and mulliken charge analyses. it was also found that further hydrolysis of si-o-ti links to form (sio)(2)ti(oh)(2) or (sio)ti(oh)(3) species were not observed in ts-1 zeolite. (c) 2007 elsevier b.v. all rights reserved. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | density-functional theory ; active-sites ; nmr ; ti ; oxidation ; diffraction ; catalysis |
| 收录类别 | SCI |
| 原文出处 | true |
| 语种 | 英语 |
| WOS记录号 | WOS:000257390400003 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/100585]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China 2.NE Forestry Univ, Key Lab Forest Plant Ecol, Harbin 150040, Peoples R China 3.Northeastern Univ, Ctr Drug Discovery, Boston, MA 02115 USA 4.Northeastern Univ, Dept Pharmaceut Sci, Boston, MA 02115 USA 5.Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA |
| 推荐引用方式 GB/T 7714 | Yang, Gang,Zhuang, Jianqin,Ma, Ding,et al. A joint experimental-theoretical study on trimethylphosphine adsorption on the Lewis acidic sites present in TS-1 zeolite[J]. journal of molecular structure,2008,882(1-3):24-29. |
| APA | Yang, Gang.,Zhuang, Jianqin.,Ma, Ding.,Lan, Xijie.,Zhou, Lijun.,...&Bao, Xinhe.(2008).A joint experimental-theoretical study on trimethylphosphine adsorption on the Lewis acidic sites present in TS-1 zeolite.journal of molecular structure,882(1-3),24-29. |
| MLA | Yang, Gang,et al."A joint experimental-theoretical study on trimethylphosphine adsorption on the Lewis acidic sites present in TS-1 zeolite".journal of molecular structure 882.1-3(2008):24-29. |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。