Configuration of MFI-type zeolite interacting with the probe molecule P(CH3)(3) - a theoretical study
文献类型：期刊论文
| 作者 | Yang, Gang; Zhou, Lijun; Liu, Xianchun; Han, Xiuwen; Bao, Xinhe |
| 刊名 | structural chemistry
 |
| 出版日期 | 2007-06-01 |
| 卷号 | 18期号:3页码:353-356 |
| 关键词 | configuration density functional probe molecule zeolite |
| 英文摘要 | with p(ch3)(3) as the probe molecule adsorbed on titanium silicalite (ts-1) zeolite, the special and important role of t12 site in mfi-type zeolite was clearly elucidated. there are altogether three active sites present in ts-1 zeolite with ti at the t12 site. owing to the preferential adsorption of probe molecules on the first bronsted acidic site, the ti12 center will probably fail to show lewis acidity. the ionic [hp(ch3)(3)](+) species can be stabilized by the first or second bronsted acidic site, with the former energetically favored. the latter was formed through the transfer of the ionic [hp(ch3)(3)](+) species from the first to the second bronsted acidic site. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, multidisciplinary ; chemistry, physical ; crystallography |
| 研究领域[WOS] | chemistry ; crystallography |
| 关键词[WOS] | fe/zsm-5 zeolite ; active-sites ; reactivity ; oxidation ; catalysts |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000248049300016 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/140503]  |
| 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,Zhou, Lijun,Liu, Xianchun,et al. Configuration of MFI-type zeolite interacting with the probe molecule P(CH3)(3) - a theoretical study[J]. structural chemistry,2007,18(3):353-356. |
| APA | Yang, Gang,Zhou, Lijun,Liu, Xianchun,Han, Xiuwen,&Bao, Xinhe.(2007).Configuration of MFI-type zeolite interacting with the probe molecule P(CH3)(3) - a theoretical study.structural chemistry,18(3),353-356. |
| MLA | Yang, Gang,et al."Configuration of MFI-type zeolite interacting with the probe molecule P(CH3)(3) - a theoretical study".structural chemistry 18.3(2007):353-356. |
入库方式： OAI收割
来源：大连化学物理研究所
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