Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by   X-ray Powder Diffraction with Charge-Flipping Algorithm

doi:10.1021/ic302705f

CORC > 北京大学 > 化学与分子工程学院

	Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm
	Xu, Yan ; Liu, Leifeng ; Chevrier, Daniel M. ; Sun, Junliang ; Zhang, Peng ; Yu, Jihong
刊名	inorganic chemistry
	2013
关键词	OPEN-FRAMEWORK GERMANATE CRYSTAL-STRUCTURE BUILDING UNITS STRUCTURAL CHARACTERIZATION ABSORPTION SPECTROSCOPY HYDROTHERMAL SYNTHESIS POROUS GERMANATES 12-RING CHANNELS 24-RING CHANNELS ZEOLITE-BETA
DOI	10.1021/ic302705f
英文摘要	A new open-framework germanate, denoted as GeO-JU90, was prepared by the hydrothermal synthesis method using 1,5-bis(methylpyrrolidinium)pentane dihydroxide as the organic structure-directing agent (SDA). The structure of GeO-JU90 was determined from synchrotron X-ray powder diffraction (XRPD) data using the charge-flipping algorithm. It revealed a complicated framework structure containing 11 Ge atoms in the asymmetric unit. The framework is built of 7-connected Ge-7 clusters and additional tetrahedral GeO3(OH) units forming a new three-dimensional interrupted framework with interesting 12 X 12 X 11-ring intersecting channels. The Ge K-edge extended X-ray absorption fine structure (EXAFS) analysis was performed to provide the local structural information around Ge atoms, giving rise to a first-shell contribution from about 4.2(2) O atoms at the average distance of 1.750(8) angstrom. The guest species subsequently determined by the simulated annealing method from XRPD data combining with other characterization techniques, e.g., C-13 NMR spectroscopy, infrared spectroscopy (FTIR), compositional analyses, and thermogravimetric analysis (TGA). Crystallographic data vertical bar(C15N2H32)(NH4)vertical bar[Ge11O21.5(OH)(4)], orthorhombic Ama2 (No. 40), a = 37.82959 angstrom, b = 15.24373 angstrom, c = 12.83659 angstrom, and Z = 8.; Chemistry, Inorganic & Nuclear; SCI(E); 2; ARTICLE; 18; 10238-10244; 52
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/391040]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Xu, Yan,Liu, Leifeng,Chevrier, Daniel M.,et al. Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm[J]. inorganic chemistry,2013.
APA	Xu, Yan,Liu, Leifeng,Chevrier, Daniel M.,Sun, Junliang,Zhang, Peng,&Yu, Jihong.(2013).Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm.inorganic chemistry.
MLA	Xu, Yan,et al."Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm".inorganic chemistry (2013).