Understanding the structural properties of a dendrimeric material directly from powder X-ray diffraction data

Pan, Zhigang, Xu, Mingcan, Cheung, Eugene Y., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Constable, Edwin C. and Housecroft, Catherine E. 2006. Understanding the structural properties of a dendrimeric material directly from powder X-ray diffraction data. Journal of Physical Chemistry B 110 (24) , pp. 11620-11623. 10.1021/jp0624348

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Abstract

Complete structure determination of an early-generation dendrimeric material has been carried out directly from powder X-ray diffraction data, using the direct-space genetic algorithm technique for structure solution followed by Rietveld refinement. This work represents the first application of modern direct-space techniques for structure determination from powder X-ray diffraction data in the case of a dendrimeric material and paves the way for the future application of this approach to enable complete structure determination of other dendrimeric materials that cannot be prepared as single crystal samples suitable for single crystal X-ray diffraction studies.

Item Type:	Article
Status:	Published
Schools:	Chemistry
Subjects:	Q Science > QD Chemistry
Additional Information:	Letters
Publisher:	ACS
ISSN:	1520-6106
Last Modified:	18 Oct 2022 13:10
URI:	https://orca.cardiff.ac.uk/id/eprint/12772

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