| EPSRC Reference: |
GR/M53981/01 |
| Title: |
STUDIES OF C-F...H-X (X=O,N,C) INTERACTIONS AND THEIR INFLUENCE ON CRYSTAL PACKING VIA CHARGE DENSITY MEAS.. |
| Principal Investigator: |
Mallinson, Dr P |
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| Department: |
School of Chemistry |
| Organisation: |
University of Glasgow |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
15 February 1999 |
Ends: |
14 August 1999 |
Value (£): |
21,966
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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Fluorine atoms in organic compounds appear to have little or no propensity to form hydrogen bonds, although strong hydrogen bonds with fluorine occur in inorganic fluorine compounds. However, fluoro-substitution can drastically modify the packing modes of organic fluorine compounds in molecular crystals. Consequently, solid state reactions such as photodimerization give products different from those obtained from the corresponding unsubstituted reactants. In the case of styryl coumarins, the formation of centrosymmetric or mirror-symmetric dimers appears to be controlled by weak interactions such as C=Oii, and by the pattern of fluoro substitution. This project will investigate the role of fluorine in steering the course of such reactions. An understanding of the nature of the weak interactions called into play will be sought by topological (Atoms in Molecules theory) analyses of experimental charge density distributions in fluorine-containing styryl coumarins and butadiences, by means of high-resolution X-ray diffraction experiments, using a synchrotron radiation source to obtain highly accurate and precise data. The results will be examined for new principles useful for the design of tailor-made materials and polymorphic modifications of drugs.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.gla.ac.uk |