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Issue 97, 2019
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An experimental and computational study into the crystallisation propensity of 2nd generation sulflower

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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.

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

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Article information


Submitted
24 Oct 2019
Accepted
14 Nov 2019
First published
14 Nov 2019

Chem. Commun., 2019,55, 14586-14589
Article type
Communication

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

T. T. Jensen, C. L. Hall, J. Potticary, I. Andrusenko, M. Gemmi and S. R. Hall, Chem. Commun., 2019, 55, 14586
DOI: 10.1039/C9CC08346D

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