Charge densities from high-resolution synchrotron X-ray diffraction experiments

Mallinson, P.R., Barr, G., Coles, S.J., Row, T.N.G., MacNicol, D.D., Teat, S.J. and Wozniak, K. (2000) Charge densities from high-resolution synchrotron X-ray diffraction experiments. Journal of Synchrotron Radiation, 7(3), pp. 160-166. (doi: 10.1107/S0909049500002958)

Abstract

The combination of intense X-ray sources, especially synchrotron radiation, with area-detector technology has accomplished an enormous advance in the experimental conditions available for charge-density analysis by single-crystal high- resolution X-ray diffraction. Such experiments can now be carried out in a time measured in hours rather than weeks. Some features of these experiments are examined and preliminary results are reported for charge-density studies of 2-hydroxy-5- nitrobenzaldehyde N-cyclohexylimine (1), octakis(m- tolylthio)naphthalene (2), and 7-fluoro-4-styrylcoumarin (3). Weak interactions in crystals of (1) and (3) are found to have similar charge-density characteristics. Cages in the crystal lattice of (2) have a complex charge distribution.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Mallinson, Dr P and MacNicol, Dr David
• Authors: Mallinson, P.R., Barr, G., Coles, S.J., Row, T.N.G., MacNicol, D.D., Teat, S.J., and Wozniak, K.
• Subjects: Q Science > QC Physics
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Journal of Synchrotron Radiation
• ISSN: 0909-0495