Abstract
IT has been indicated in a previous paper1 how a comparison between the structure factors (F(h,k,l)) resulting from a given molecular configuration, and those actually observed by experiment, can be effected by comparing the Patterson maps resulting from the observations and from the proposed molecule. This suffers the disadvantage of requiring a knowlodge, not only of the intra-molecular configurations, but also of the positional relationships between the molecules themselves in the unit cell. Another approach is suggested by a result obtained recently2. Since the Patterson synthesis, in a certain neighbourhood of the origin, depends mainly upon the intramolecular configuration, a possible basis of comparison between a postulated molecular structure and a set of observations would lie in an investigation of the distribution functions resulting from each in Patterson space.
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References
Booth, A. D., and Wrinch, D., J. Chem. Phys., 15, 416 (1947).
Wrinch, D., "Fourier Transforms and Structure Factors", A.S.X.R.E.D. Monograph No. 2, 10 (1946).
Booth, A. D., Trans. Farad. Soc., 44, 37 (1948).
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BOOTH, A., WRINCH, D. Radial Patterson Distribution Functions. Nature 163, 169 (1949). https://doi.org/10.1038/163169a0
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DOI: https://doi.org/10.1038/163169a0