Structure and Conformation of 2,3,6, 7,10,11-hexakispentyloxytriphenylene by TEM and Computer Simulation

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	Structure and Conformation of 2,3,6, 7,10,11-hexakispentyloxytriphenylene by TEM and Computer Simulation
	G. Li; J. Luo; T. Wang; E. L. Zhou; J. Y. Huang; H. Bengs; H. Ringsdorf
	1998
Source Publication	Molecular Crystals and Liquid Crystals Science and Technology Section a-Molecular Crystals and Liquid Crystals
ISSN	1058-725X
Volume	309 Pages:73-91
Abstract	Experimental electron diffraction patterns and high resolution images were used to determine the space group and unit cell dimensions of 2,3,6,7,10,11-hexakispentyloxytriphenylene. Subsequently the molecular conformation was calculated by energy minimized package in Cerius2. Using this method, we got the HPT crystal structure: space group: P6/mmm; lattice type: hexogonal; the lattice parameters are a = b = 20.3 angstrom, c = 3.52 angstrom, = = 90 degrees, = 120 degrees. The core of HPT is not perpendicular to the column. The angle between a axis and HPT core plane is 9 degrees which cannot be seen in b-c projection. The simulated ED patterns and HREM images are good agreement with the experimental ED patterns and HREM images.
description.department	[li, gao; luo, jun; wang, tao; zhou, enle] chinese acad sci, changchun inst appl chem, polymer phys lab, changchun 130022, peoples r china. [huang, jianyu] chinese acad sci, atom imaging solids lab, inst met res, shenyang 110015, peoples r china. [bengs, holger; ringsdorf, helmut] johannes gutenberg univ mainz, inst organ chem, d-55099 mainz, germany.;luo, j (reprint author), chinese acad sci, changchun inst appl chem, polymer phys lab, changchun 130022, peoples r china
Keyword	Triphenylene Electron Diffraction Computer Simulation Molecular Conformation Discotic Liquid Crystals
URL	查看原文
WOS ID	WOS:000207082200010
Citation statistics	Cited Times:5[WOS] [WOS Record] [Related Records in WOS]
Document Type	期刊论文
Identifier	http://ir.imr.ac.cn/handle/321006/37697
Collection	中国科学院金属研究所
Recommended Citation GB/T 7714	G. Li,J. Luo,T. Wang,et al. Structure and Conformation of 2,3,6, 7,10,11-hexakispentyloxytriphenylene by TEM and Computer Simulation[J]. Molecular Crystals and Liquid Crystals Science and Technology Section a-Molecular Crystals and Liquid Crystals,1998,309:73-91.
APA	G. Li.,J. Luo.,T. Wang.,E. L. Zhou.,J. Y. Huang.,...&H. Ringsdorf.(1998).Structure and Conformation of 2,3,6, 7,10,11-hexakispentyloxytriphenylene by TEM and Computer Simulation.Molecular Crystals and Liquid Crystals Science and Technology Section a-Molecular Crystals and Liquid Crystals,309,73-91.
MLA	G. Li,et al."Structure and Conformation of 2,3,6, 7,10,11-hexakispentyloxytriphenylene by TEM and Computer Simulation".Molecular Crystals and Liquid Crystals Science and Technology Section a-Molecular Crystals and Liquid Crystals 309(1998):73-91.

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