Configuration of MFI-type zeolite interacting with the probe molecule P(CH3)(3) - a theoretical study

	Configuration of MFI-type zeolite interacting with the probe molecule P(CH3)(3) - a theoretical study
	Yang, Gang ; Zhou, Lijun ; Liu, Xianchun ; Han, Xiuwen ; Bao, Xinhe
刊名	structural chemistry
	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
内容类型	期刊论文
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.