An Experimental and Computational Study into the Crystallisation Propensity of 2nd Generation Sulflower

Torsten T Jensen; Charlie Hall; Jason L Potticary; Iryna Andrusenko; Mauro Gemmi; Simon R Hall

doi:10.1039/C9CC08346D

An Experimental and Computational Study into the Crystallisation Propensity of 2nd Generation Sulflower

Torsten T Jensen
, Charlie Hall
, Jason L Potticary
, Iryna Andrusenko
, Mauro Gemmi
, Simon R Hall

Research output: Contribution to journal › Article (Academic Journal) › peer-review

4 Citations (Scopus)

189 Downloads (Pure)

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.

Original language	English
Pages (from-to)	14586-14589
Number of pages	4
Journal	Journal of the Chemical Society: Chemical Communications
Volume	55
Issue number	97
DOIs	https://doi.org/10.1039/C9CC08346D
Publication status	Published - 14 Nov 2019

Research Groups and Themes

Inorganic & Materials

Access to Document

10.1039/C9CC08346D

Full-text PDF (accepted author manuscript)
This is the author accepted manuscript (AAM). The final published version (version of record) is available online via Royal Society of Chemistry at https://pubs.rsc.org/en/content/articlelanding/2019/cc/c9cc08346d#!divAbstract. Please refer to any applicable terms of use of the publisher.
Accepted author manuscript, 1.26 MB

Handle.net

Persistent link

Cite this

@article{9574be6d3b3b4fe8b9ff32f5587c3003,

title = "An Experimental and Computational Study into the Crystallisation Propensity of 2nd Generation Sulflower",

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.",

author = "Jensen, \{Torsten T\} and Charlie Hall and Potticary, \{Jason L\} and Iryna Andrusenko and Mauro Gemmi and Hall, \{Simon R\}",

year = "2019",

month = nov,

day = "14",

doi = "10.1039/C9CC08346D",

language = "English",

volume = "55",

pages = "14586--14589 ",

journal = "Journal of the Chemical Society: Chemical Communications",

issn = "0022-4936",

publisher = "Royal Society of Chemistry",

number = "97",

}

TY - JOUR

T1 - An Experimental and Computational Study into the Crystallisation Propensity of 2nd Generation Sulflower

AU - Jensen, Torsten T

AU - Hall, Charlie

AU - Potticary, Jason L

AU - Andrusenko, Iryna

AU - Gemmi, Mauro

AU - Hall, Simon R

PY - 2019/11/14

Y1 - 2019/11/14

N2 - 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.

AB - 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.

U2 - 10.1039/C9CC08346D

DO - 10.1039/C9CC08346D

M3 - Article (Academic Journal)

SN - 0022-4936

VL - 55

SP - 14586

EP - 14589

JO - Journal of the Chemical Society: Chemical Communications

JF - Journal of the Chemical Society: Chemical Communications

IS - 97

ER -

An Experimental and Computational Study into the Crystallisation Propensity of 2nd Generation Sulflower

Abstract

Research Groups and Themes

Access to Document

Handle.net

Fingerprint

Cite this