Elsevier

Tetrahedron Letters

Volume 48, Issue 21, 21 May 2007, Pages 3695-3698
Tetrahedron Letters

A density functional study towards the preferential binding of anions to urea and thiourea

https://doi.org/10.1016/j.tetlet.2007.03.120Get rights and content

Abstract

A DFT study predicted the trend towards binding of anions with simple urea/thiourea receptor units, which has been found to be in good agreement with experimentally observed results. Our results provide a trend for the interaction of anions of different shapes with urea/thiourea receptor molecules, which do not always follow the basicity scale of anions.

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A DFT study predicted the trend towards binding of anions with simple urea/thiourea molecules.

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Acknowledgements

The Department of Science and Technology and the Board of Research in Nuclear Science, Government of India, supported this work. The authors, D.A.J. wish to acknowledge CSIR for a SRF. B.G. and A.D. wish to thank Dr. P.K. Ghosh (CSMCRI, Bhavnagar) for his keen interest in this work.

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