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Understanding, predicting and controlling phase transitions - A story of the unpredictability of everyday scientific research!

Abstract

Barluenga's Reagent (IPy2BF4) is simple iodinating and oxidising agent [1-2].  However, although it is chemically stable in the crystalline solid state, on cooling it undergoes a phase transition [2-3].  Looking closer, things are more complicated and its derivatives show a range of
behaviour including temperature [3], pressure [4] and radiation  [5] induced transitions, diffuse scattering [6] and modulation [3-6].  Some
of these results will be presented, demonstrating how a simple crystal structure determination can lead down a chemical crystallography rabbit hole.

References:
[1] Barluenga, J., González, J. M., Campos, P. J. & Asensio, G. (1985).
Angew. Chem. Int. Ed. 24, 319–320.
[2] Chalker, J. M., Thompson, A. L. & Davis, B. G. (2010). Org. Synth.
87, 288–298.
[3] Kim, Y., Mckinley, E.J., Christensen, K.E., Rees, N.H. & Thompson,
A.L. (2014). Cryst. Growth Des. 14, 6294–6301.
[4] Morgan, L.C.F., Funnell, N.P., Fortes, A.D., Christensen, K.E. &
Thompson, A.L., manuscript in preparation.
[5] Morgan, L.C.F., Kim, Y., Blandy, J.N., Murray, C.A., Christensen,
K.E. & Thompson, A.L. (2018). Chem. Comm. 54, 9849–9852.
[6] Fleming, V.A., Christensen, K.E. & Thompson, A.L., CrystEngComm,
manuscript in preparation.