Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors
Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors
Building on previous studies of anion-receptor complexes based on a urea scaffold substituted symmetrically with electron-withdrawing nitro groups, the electron density distribution in an analogous
thiourea receptor complex and the related asymmetrically substituted urea and thiourea receptors are described. On this basis it is possible to probe both the effect of changing the receptor core from a urea to
10 a thiourea moiety and that of asymmetrical substitution of the receptor molecule. These modifications are shown to significantly alter the anion binding properties, solid-state packing and electron density distribution in the anion-receptor complexes.
Coles, Simon J.
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Gale, Philip A
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Kirby, Isabelle L.
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Pitak, Mateusz B.
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Wilson, Claire
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25 February 2015
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Gale, Philip A
c840b7e9-6847-4843-91af-fa0f8563d943
Kirby, Isabelle L.
5839d488-f346-4741-b757-9ecf30777938
Pitak, Mateusz B.
eeb6a00f-2291-4376-830f-d30dfd607ed1
Wilson, Claire
6be18134-9a9f-4d19-8197-0593a648773f
Coles, Simon J., Gale, Philip A, Kirby, Isabelle L., Pitak, Mateusz B. and Wilson, Claire
(2015)
Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors.
CrystEngComm.
(doi:10.1039/C5CE00213C).
Abstract
Building on previous studies of anion-receptor complexes based on a urea scaffold substituted symmetrically with electron-withdrawing nitro groups, the electron density distribution in an analogous
thiourea receptor complex and the related asymmetrically substituted urea and thiourea receptors are described. On this basis it is possible to probe both the effect of changing the receptor core from a urea to
10 a thiourea moiety and that of asymmetrical substitution of the receptor molecule. These modifications are shown to significantly alter the anion binding properties, solid-state packing and electron density distribution in the anion-receptor complexes.
Text
Thiourea CD article final Revised for submission.docx
- Accepted Manuscript
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Accepted/In Press date: 25 February 2015
e-pub ahead of print date: 2015
Published date: 25 February 2015
Organisations:
Organic Chemistry: SCF
Identifiers
Local EPrints ID: 374862
URI: http://eprints.soton.ac.uk/id/eprint/374862
ISSN: 1466-8033
PURE UUID: 9aa5797f-1c37-4a69-bde1-93ebaab6ae73
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Date deposited: 04 Mar 2015 14:41
Last modified: 15 Mar 2024 03:06
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Contributors
Author:
Philip A Gale
Author:
Isabelle L. Kirby
Author:
Mateusz B. Pitak
Author:
Claire Wilson
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