Cracking a chemical conundrum

被引：8

作者：

Adams, James M. ^{[1
]}

Ivanov, Alexandre S. ^{[1
]}

Johnson, Mark R. ^{[1
]}

Stride, John A. ^{[1
]}

机构：

[1] Inst Laue Langevin, F-38042 Grenoble, France

来源：

PHYSICA B-CONDENSED MATTER | 2004年 / 350卷 / 1-3期

关键词：

Neutron scattering; Diffraction; Molecular spectroscopy;

D O I：

10.1016/j.physb.2004.03.094

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

An everyday laboratory chemical, hexamethylbenzene (HMB) has assumed an important role in the history of molecular structure and crystallography. It was one of the first organic crystal structures to be solved and provided direct experimental proof for the hypothesis of planarity in aromatic systems. Very soon after this, HMB was found to undergo a phase transition at 117 K, resulting in crystal shattering. Since then, many attempts have been made to obtain the low-temperature structure, but none have succeeded until now. Making use of the unique properties of the neutron, we have performed powder diffraction measurements to obtain the low-temperature crystal structure and inelastic measurements to determine the dynamics of the system. These experiments have been augmented by the use of ab initio calculations and molecular modelling to obtain a complete picture of HMB in the solid state. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：E351 / E354

页数：4

共 9 条

[1] The crystal structure of hexamethylbenzene and the length of the methyl group bond to aromatic carbon atoms [J].