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Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors

DOI: 10.1039/C5CE00213C DOI Help

Authors: Isabelle Kirby (University of Southampton) , Mateusz Pitak (University of Southampton) , Claire Wilson (Diamond Light Source) , Philip A. Gale (University of Southampton) , Simon Coles (University of Southampton)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Crystengcomm , VOL 17 (14) , PAGES 2815-2826

State: Published (Approved)
Published: February 2015
Diamond Proposal Number(s): 8521

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 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.

Subject Areas: Chemistry


Instruments: I19-Small Molecule Single Crystal Diffraction

Added On: 25/03/2015 10:21

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