Photoinduced crystallography

The development of a new crystallographic technique which will yield the three-dimensional crystal-structure of materials whilst in their excited states. Luminescent materials that have potential as light-emitting-diodes are of particular interest here since structural perturbations arise from the complex electronic charge-transfer processes involved in the emissive state.

The technique involves directing a pulsed laser and X-ray beam upon the sample. The X-ray pulse is generated either by a chopper or by using the inherent time-structure of a synchrotron, depending on the excited-state lifetime of the sample. Complementary spectroscopic and theoretical work is also being employed.

Selected publications

  • Jacqueline M. Cole, Sven O. Sylvester

    Solar-Powered Nanomechanical Transduction from Crystalline Molecular Rotors

    Advanced Materials 2013, 25, 24, 3324–3328

  • Anthony E. Phillips, Jacqueline M. Cole, Thierry d’Almeida, Kian Sing Low

    Effects of the reaction cavity on metastable optical excitation in ruthenium-sulfur dioxide complexes

    Physical Review B 2010, 82, 15, 155118

  • Jacqueline M. Cole

    Applications of Photocrystallography: a future perspective

    Zeitschrift für Kristallographie 2008, 223, 363–9

  • Jacqueline M. Cole


    Acta Crystallographica A 2008, 64, 259–271

  • K. F. Bowes, J. M. Cole, S. L. G. Husheer, P. R. Raithby, T. Savarese, H. A. Sparkes, J. E. Warren

    Metastable light-induced crystal structure of photoisomerized SO2: η1-OSO coordinated [Ru(OSO)(NH3)4(H2O)]Tos2

    Chemical Communications 2006, 2448–2450

A difference density map showing that, on irradiation with light, the SO2 ligand in this ruthenium complex rotates to a side-bound η2 coordination geometry.