ONE-DIMENSIONAL X-RAY DIFFRACTION TECHNIQUES AS A ROUTINE STEREO-CHEMICAL TOOL.

Abstract

The objective of this investigation was to develop and evaluate techniques for obtaining information on the structure of molecules by use of one dimensional x-ray diffraction data from crystalline powders, solutions and liquids and to obtain such information on the structure of molecules, with particular reference to coordination compounds. Techniques for collecting easily and rapidly high quality one dimensional diffraction data and the numerical treatment of such data for interpretation and comparison with similar observed data from a series of compounds and with corresponding functions calculated from proposed structural models were studied. A series of rather elaborate computer programmes to treat the observed data and to calculate the necessary functions was prepared. (Author)

Document Details

Document Type
Technical Report
Publication Date
Dec 01, 1963
Accession Number
AD0432314

Entities

People

  • G. B. Robertson
  • Jean Dollimore
  • Peter Pauling
  • R. S. Nyholm

Organizations

  • University College London

Tags

DTIC Thesaurus Topics

  • Computer Programs
  • Computers
  • Diffraction
  • Molecules
  • Wave Phenomena
  • X Rays
  • X-Ray Diffraction

Fields of Study

  • Chemistry

Readers

  • Computational Modeling and Simulation
  • Computer Science.
  • Materials Science and Engineering.