Acidity and defect sites in titanium silicalite catalyst
文献类型：期刊论文
| 作者 | Yang, Gang1,2; Lan, Xijie1; Zhuang, Jianqin1; Ma, Ding1; Zhou, Lijun2; Liu, Xianchun1; Han, Xiuwen1; Bao, Xinhe1 |
| 刊名 | applied catalysis a-general
 |
| 出版日期 | 2008-03-15 |
| 卷号 | 337期号:1页码:58-65 |
| 关键词 | acidity defect sites density functional calculations MAS NMR proton transfer |
| 产权排序 | 1;1 |
| 通讯作者 | 杨刚 ; 包信和 |
| 英文摘要 | with density functional calculations and in situ si-29 and p-31 mas nmr experiments, a novel defect site (defect site ii, ds(ii)) was identified in titanium silicalite molecular sieve (ts-1 zeolite), supported by the previous experimental results. the conversion from q(3) species [(sio)(3)si(oh)])] into q(4)-like species [si(osi)(4)] due to tmp adsorption indicated the presence of bronsted acidity in ts-1 zeolite. the thermodynamic analysis and ti/si substitution energies further confirmed that the proton transferring process of defect site ii is much facilitated in ts-1 zeolite whereas on the contrary in silicalite-1. with the proton-affinity calculations, the bronsted acidities of several cation-doped zeolites were found to decrease in the order of al-zsm-5 > fe-zsm-5 > b-zsm-5 > ts-1. the bronsted acidity of ts-1 zeolite is even weaker than that of b-zsm-5 zeolite, suggesting the potential role as a new acid catalyst. as to silicalite-1, its acidity is even weaker than that of defect site i (ds(i)) in ts-1 zeolite. (c) 2007 elsevier b.v. all rights reserved. |
| WOS标题词 | science & technology ; physical sciences ; life sciences & biomedicine |
| 类目[WOS] | chemistry, physical ; environmental sciences |
| 研究领域[WOS] | chemistry ; environmental sciences & ecology |
| 关键词[WOS] | isomorphously substituted zsm-5 ; effective core potentials ; molecular calculations ; styrene oxidation ; fe/zsm-5 zeolite ; nmr-spectroscopy ; probe molecule ; ts-1 catalysts ; active-sites ; density |
| 收录类别 | SCI |
| 原文出处 | true |
| 语种 | 英语 |
| WOS记录号 | WOS:000254309700007 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/100589]  |
| 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, Minist Educ, Key Lab Forest Plant Ecol, Harbin 150040, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Gang,Lan, Xijie,Zhuang, Jianqin,et al. Acidity and defect sites in titanium silicalite catalyst[J]. applied catalysis a-general,2008,337(1):58-65. |
| APA | Yang, Gang.,Lan, Xijie.,Zhuang, Jianqin.,Ma, Ding.,Zhou, Lijun.,...&Bao, Xinhe.(2008).Acidity and defect sites in titanium silicalite catalyst.applied catalysis a-general,337(1),58-65. |
| MLA | Yang, Gang,et al."Acidity and defect sites in titanium silicalite catalyst".applied catalysis a-general 337.1(2008):58-65. |
入库方式： OAI收割
来源：大连化学物理研究所
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