Formation, location, and photocatalytic reactivity of methoxy species on Keggin 12-H3PW12O40: A joint solid-state NMR spectroscopy and DFT calculation study

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 2011年以前论文发表（包括2011年）

	Formation, location, and photocatalytic reactivity of methoxy species on Keggin 12-H3PW12O40: A joint solid-state NMR spectroscopy and DFT calculation study
	Zhang, Hailu 1,2; Zheng, Anmin 1; Yu, Huaguang 1,2; Li, Shenhui 1,2; Lu, Xin 3,4; Deng, Feng 1
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2008-10-09
卷号	112 期号:40 页码:15765-15770
英文摘要	Solid-state NMR experiments and quantum chemical Density Functional Theory (DFT) calculations were employed to investigate the formation, location, and photocatalytic reactivity of methoxy species on anhydrous 12-H3PW12O40. Two different types of methoxy species were identified on the methanol-adsorbed 12-H3PW12O40 catalyst. Rotational Echo DOuble Resonance (REDOR) NMR experiments combined with quantum chemical DFT calculations demonstrated that the two corresponding methyl groups reside on the O-c and O-d atoms of the Keggin anion, forming the surface OcCH3 and OdCH3 species. Photocatalytic experiments further indicated that the two methoxy species are both photochemically reactive species with the OdCH3 species being much more reactive, and the methoxy species are preferentially mineralized to the final product CO2 directly.
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]	IN-SITU NMR ; VISIBLE-LIGHT IRRADIATION ; SURFACE METHOXY ; HETEROPOLY ACIDS ; DIMETHYL ETHER ; MAS NMR ; ETHANOL PHOTOCATALYSIS ; ZEOLITE CATALYSTS ; DYE POLLUTANTS ; DEGRADATION
收录类别	SCI
语种	英语
WOS记录号	WOS:000259760100024
公开日期	2015-10-20
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/8135]
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, Wuhan Inst Phys & Math, Wuhan Ctr Magnet Resonance, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China 3.Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surface, Xiamen 361005, Peoples R China 4.Xiamen Univ, Coll Chem & Chem Engn, Ctr Theoret Chem, Xiamen 361005, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Hailu,Zheng, Anmin,Yu, Huaguang,et al. Formation, location, and photocatalytic reactivity of methoxy species on Keggin 12-H3PW12O40: A joint solid-state NMR spectroscopy and DFT calculation study[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2008,112(40):15765-15770.
APA	Zhang, Hailu,Zheng, Anmin,Yu, Huaguang,Li, Shenhui,Lu, Xin,&Deng, Feng.(2008).Formation, location, and photocatalytic reactivity of methoxy species on Keggin 12-H3PW12O40: A joint solid-state NMR spectroscopy and DFT calculation study.JOURNAL OF PHYSICAL CHEMISTRY C,112(40),15765-15770.
MLA	Zhang, Hailu,et al."Formation, location, and photocatalytic reactivity of methoxy species on Keggin 12-H3PW12O40: A joint solid-state NMR spectroscopy and DFT calculation study".JOURNAL OF PHYSICAL CHEMISTRY C 112.40(2008):15765-15770.