NMR and theoretical studies of boron-modified mordenite

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）

	NMR and theoretical studies of boron-modified mordenite
	Chen, L; Zhang, MJ; Yue, Y; Ye, CH; Deng, F
刊名	MICROPOROUS AND MESOPOROUS MATERIALS
	2004-12-01
卷号	76 期号:1-3 页码:151-156
关键词	mordenite boron isomorphous substitution MAS NMR ab initio
英文摘要	The state of boron in the boron-modified mordenite has been investigated by B-11 NMR and quantum chemical calculation. Two different kinds of boron species in tetrahedral coordination are clearly observed in the two-dimensional (2D) B-11 triple-quantum (3Q) magic-angle spinning nuclear magnetic resonance (MAS NMR) spectra. The signal at -3.1 ppm is due to the normal four-coordinated framework boron species, while that at 0.3ppm is attributed to a new kind of four-coordinated framework boron species. The association of the new tetrahedral BO4 unit with the framework of mordenite is confirmed using B-11 {Si-29} rotational echo double resonance (REDOR) experiment, and its detailed structure is determined by ab initio calculation, which suggests that the new tetrahedral BO4 is connected to two hydroxyl groups, in the form Of (OSi)(2)B(OH)(2). The calculated isotropic B chemical shifts of the two tetrahedral boron species are in good agreement with the experimental values. (C) 2004 Elsevier Inc. All rights reserved.
WOS标题词	Science & Technology ; Physical Sciences ; Technology
类目[WOS]	Chemistry, Applied ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
研究领域[WOS]	Chemistry ; Science & Technology - Other Topics ; Materials Science
关键词[WOS]	ISOMORPHOUSLY SUBSTITUTED ZSM-5 ; AB-INITIO ; CHEMICAL-SHIFTS ; ZEOLITE ZSM-5 ; VAPOR-PHASE ; SPECTRA ; SI-29 ; ACID ; AL ; SPINS
收录类别	SCI
语种	英语
WOS记录号	WOS:000225255100019
公开日期	2015-12-08
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/9012]
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	Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China
推荐引用方式 GB/T 7714	Chen, L,Zhang, MJ,Yue, Y,et al. NMR and theoretical studies of boron-modified mordenite[J]. MICROPOROUS AND MESOPOROUS MATERIALS,2004,76(1-3):151-156.
APA	Chen, L,Zhang, MJ,Yue, Y,Ye, CH,&Deng, F.(2004).NMR and theoretical studies of boron-modified mordenite.MICROPOROUS AND MESOPOROUS MATERIALS,76(1-3),151-156.
MLA	Chen, L,et al."NMR and theoretical studies of boron-modified mordenite".MICROPOROUS AND MESOPOROUS MATERIALS 76.1-3(2004):151-156.