Structure determination of molecular materials from powder diffraction data

被引:9
作者
Harris, KDM [1 ]
机构
[1] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England
关键词
structure determination; molecular materials; powder diffraction;
D O I
10.1016/S1359-0286(02)00045-1
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Many solids can be prepared only as microcrystalline powders and are not suitable for structural characterization by single crystal diffraction techniques. In such cases, it is necessary to carry out structure determination using powder diffraction data. There has been considerable recent interest in this field, and considerable progress has been achieved both in the development of new techniques and in the application of these techniques to tackle a wide range of structural problems. This article highlights recent developments of techniques in this field, and their application in the field of molecular solid state chemistry. (C) 2002 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码:125 / 130
页数:6
相关论文
共 66 条
  • [31] Determining the crystal structures of organic solids using X-ray powder diffraction together with molecular and solid state modeling techniques
    Hammond, RB
    Jones, MJ
    Murphy, SA
    Roberts, KJ
    Smith, EDL
    Klapper, H
    Kutzke, H
    Docherty, R
    Cherryman, J
    Roberts, RJ
    Fagan, PG
    [J]. MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2001, 356 : 389 - 405
  • [32] Structure solution of molecular crystals from powder diffraction data using Genetic Algorithms: Opportunities in academic and industrial research
    Harris, KDM
    Johnston, RL
    Kariuki, BM
    Tedesco, E
    Turner, GW
    [J]. EPDIC 7: EUROPEAN POWDER DIFFRACTION, PTS 1 AND 2, 2001, 378-3 : 38 - 46
  • [33] Harris KDM, 2001, ANGEW CHEM INT EDIT, V40, P1626, DOI 10.1002/1521-3773(20010504)40:9<1626::AID-ANIE16260>3.0.CO
  • [34] 2-7
  • [35] HARRIS KDM, 2001, RIGAKU J, V18, P23
  • [36] Ab initio structure determination of triphenyl phosphite by powder synchrotron X-ray diffraction
    Hernandez, O
    Hédoux, A
    Lefebvre, J
    Guinet, Y
    Descamps, M
    Papoular, R
    Masson, O
    [J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2002, 35 : 212 - 219
  • [37] Structure determination of organic molecules from diffraction data by simulated annealing
    Hsu, H.-P.
    Hansmann, U.H.E.
    Lin, S.C.
    [J]. 2001, American Institute of Physics Inc. (64): : 1 - 056707
  • [38] Solving crystal structures from powder diffraction data using Genetic Algorithms
    Kariuki, BM
    Harris, KDM
    Johnston, RL
    [J]. MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2001, 356 : 469 - 481
  • [39] Kisch H, 2001, CHEM-EUR J, V7, P738, DOI 10.1002/1521-3765(20010202)7:3<738::AID-CHEM738>3.0.CO
  • [40] 2-6