The crystallisation propensity of the newly synthesised molecule persulfurated coronene has been investigated through a number of experimental methods. Electrostatic potential calculations and multi-molecular optimisations show that face-face interactions are far more favorable than edge-face interactions, severely restricting the ability of the molecule to crystallise.
|Number of pages||4|
|Journal||Journal of the Chemical Society: Chemical Communications|
|Publication status||Published - 14 Nov 2019|
Jensen, T. T., Hall, C., Potticary, J. L., Andrusenko, I., Gemmi, M., & Hall, S. R. (2019). An Experimental and Computational Study into the Crystallisation Propensity of 2nd Generation Sulflower. Journal of the Chemical Society: Chemical Communications, 55(97), 14586-14589 . https://doi.org/10.1039/C9CC08346D