An experimental and computational study into the crystallisation propensity of 2nd generation sulflower

Chem Commun (Camb). 2019 Dec 3;55(97):14586-14589. doi: 10.1039/c9cc08346d.

Abstract

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.