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

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 intera...

Full description

Saved in:
Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2019-12, Vol.55 (97), p.14586-14589
Main Authors: Jensen, Torsten T, Hall, Charlie L, Potticary, Jason, Andrusenko, Iryna, Gemmi, Mauro, Hall, Simon R
Format: Article
Language:English
Subjects:
Chemical synthesis
Crystallization
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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. Persulfurated coronene cannot readily nucleate or crystallise due to its preference for face-face over edge-face interactions.
ISSN:1359-7345
1364-548X
DOI:10.1039/c9cc08346d