Structure and Conformation of 2,3,6, 7,10,11-hexakispentyloxytriphenylene by TEM and Computer Simulation
文献类型:期刊论文
作者 | G. Li ; J. Luo ; T. Wang ; E. L. Zhou ; J. Y. Huang ; H. Bengs ; H. Ringsdorf |
刊名 | Molecular Crystals and Liquid Crystals Science and Technology Section a-Molecular Crystals and Liquid Crystals
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出版日期 | 1998 |
卷号 | 309页码:73-91 |
关键词 | Triphenylene electron diffraction computer simulation molecular conformation discotic liquid crystals |
ISSN号 | 1058-725X |
中文摘要 | 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. |
原文出处 | |
公开日期 | 2012-04-14 |
源URL | [http://ir.imr.ac.cn/handle/321006/37697] ![]() |
专题 | 金属研究所_中国科学院金属研究所 |
推荐引用方式 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. |
入库方式: OAI收割
来源:金属研究所
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