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Anion–π Interactions in Cyanuric Acids: A Combined Crystallographic and Computational Study
Abstract
Several structures of π complexes of isocyanuric acid and of several thio derivatives with anions have been computed by using high level ab initio calculations. The nature of the complexes has been studied by means of the method of molecular interaction potential with polarization (MIPp) and Bader's theory of atoms‐in‐molecules. These molecules form favorable complexes with anions and can be used as binding units for building receptors for the molecular recognition of anions. In several cases, the anion–π interaction has been demonstrated experimentally by means of X‐ray crystallography.
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Cited by
Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures
Salonen, L. M., Ellermann, M., & Diederich, F. (2011) · Angewandte Chemie International Edition · doi:10.1002/anie.201007560 · Cited by 1,539
Lone Pair−Aromatic Interactions: To Stabilize or Not to Stabilize
Egli, M., & Sarkhel, S. (2007) · Accounts of Chemical Research · doi:10.1021/ar068174u · Cited by 587
Philip, V., Harris, J., Adams, R., Nguyen, D., Spiers, J., Baudry, J., Howell, E. E., & Hinde, R. J. (2011) · Biochemistry · doi:10.1021/bi200066k · Cited by 109
Metadata
- Authors
- Frontera, A., Saczewski, F., Gdaniec, M., Dziemidowicz‐Borys, E., Kurland, A., Deyà, P. M., Quiñonero, D., & Garau, C.
- Venue
- Chemistry – A European Journal
- Publisher
- Wiley
- Published
- 2005-10-26
- Volume
- 11
- Issue
- 22
- Pages
- 6560-6567
- ISSN
- 0947-6539 (ISSN-L)
- 1521-3765
- OpenAlex
- W2083398338
- Cited by
- 170
- References
- 0
- FWCI
- 11.41
- Type
- journal article
- Language
- en
- Open access
- closed
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- Frontera, A., Saczewski, F., Gdaniec, M., Dziemidowicz‐Borys, E., Kurland, A., Deyà, P. M., Quiñonero, D., & Garau, C. (2005). Anion–π Interactions in Cyanuric Acids: A Combined Crystallographic and Computational Study. Chemistry – A European Journal. https://doi.org/10.1002/chem.200500783
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