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Dr Simon Parsons
e-mail: s.parsons@ed.ac.uk tel: 0131 650 5804

Research Interests: high pressure crystallography, structural chemistry, X-ray and neutron diffraction, structure of materials, single crystal and powder diffraction, twinning.

We are one of a very few groups in the world to be engaged in the study of the effect of pressures of 1000s of atm on the structures of molecular compounds. We are currently focusing on organic and magnetic systems, while also investigating whether pressure can be used to fine-tune metal extraction processes. This pioneering step in Gigapascal Chemistry hopes to make metal extraction more selective and more environmentally friendly. We are part of The Centre for Science at Extreme Conditions (CSEC), a World-leading centre of excellence for extreme conditions science, equipped with state-of-the-art diffraction, computing, magnetism and spectroscopy facilities.

The left figure shows a crystal of the amino acid serine in a high pressure cell. The pressure experienced by the sample is 40,000 atmospheres. The middle figure shows a high-pressure data collection in progress at a synchrotron source, using X-rays which are 1012 times more intense than those available in the lab. The third figure shows how the structure of TiCl4 can be changed by application pressure to 5000 atm.

High pressure cell Data collection at synchrotron source TiCl4 structure change under pressure

SELECTED RECENT PUBLICATIONS

  1. Isotopic Polymorphism in Pyridine. S. Crawford, M.T. Kirchner, D. Bläser, R. Boese, W.I.F. David, A. Dawson, A.Gehrke, R.M. Ibberson, W.G. Marshall, S.Parsons, and Y. Yamamuro, Angewandte Chemie, International Edition (2008) In press.
  2. [Mn6] under pressure: a combined crystallographic and magnetic study. A. Prescimone, C. J. Milios, S. Moggach, J. E. Warren, A. R. Lennie, J. Sanchez-Benitez, K. Kamenev, R. Bircher, M. Murrie, S. Parsons, and E. K. Brechin, Angewandte Chemie, International Edition, 47, 2828-2831 (2008).
  3. High-Pressure Polymorphism in L-Serine Monohydrate: Identification of Driving Forces in High Pressure Phase Transitions and Implications for Pressure-Induced Protein Denaturation. R. D. L. Johnstone, D. Francis, A. R. Lennie, W. G. Marshall, S. A. Moggach, S. Parsons, E. Pidcock, and J. E. Warren, CrystEngComm, 10, In press. (2008). http://www.rsc.org/Publishing/Journals/CE/article.asp?doi=b810746g
  4. A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations. P. A. Wood, D. Francis, W. G. Marshall, S. A. Moggach, S. Parsons, E. Pidcock, and A. L. Rohl, CrystEngComm, 10, 1154-1166 (2008).
  5. High Pressure Polymorphism in Amino Acids. S. A. Moggach, S. Parsons, and P. A. Wood, Crystallography Reviews, 14, 143-184, (2008).
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