Arthur Lindo Patterson, his function and element preferences in early crystal structures


In 1934, Arthur Lindo Patterson showed that a map of interatomic vectors is obtainable from measured X-ray diffraction data without phase information. Such maps were interpretable for simple crystal structures, but proliferation and overlapping of peaks caused confusion as the number of atoms increased. Since the peak height of a vector between two particular atoms is related to the product of their atomic numbers, a complicated structure could effectively be reduced to a simple one by including just a few heavy atoms (of high atomic number) since their interatomic vectors would stand out from the general clutter. Once located, these atoms provide approximate phases for Fourier syntheses that reveal the locations of additional atoms. Surveys of small-molecule structures in the Cambridge Structural Database during the periods 1936-1969, when Patterson methods were commonly used, and 1980-2013, dominated by direct methods, demonstrate large differences in the abundance of certain elements. The moderately heavy elements K, Rb, As and Br are the heaviest elements in the structure more than 3 times as often in the early period than in the recent period. Examples are given of three triumphs of the heavy atom method and two initial failures that had to be overcome.

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Divisions: College of Health & Life Sciences > Aston Pharmacy School
Aston University (General)
Additional Information: This is an Accepted Manuscript of an article published by Taylor & Francis in Crystallography Reviews on 7/7/14, available online:
Uncontrolled Keywords: A.L. Patterson,Cambridge Structural Database,element abundance,heavy atom method,Patterson function,Chemistry(all),Materials Science(all),Condensed Matter Physics,Biochemistry,Structural Biology
Publication ISSN: 1476-3508
Full Text Link: http://www.tand ... 11X.2014.943202
Related URLs: http://www.scop ... tnerID=8YFLogxK (Scopus URL)
PURE Output Type: Article
Published Date: 2014
Authors: Schwalbe, Carl H.



Version: Accepted Version

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