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Computer Modeling of Halogen Bonds and Other σ-Hole Interactions
Open accessAbstract
In the field of noncovalent interactions a new paradigm has recently become popular. It stems from the analysis of molecular electrostatic potentials and introduces a label, which has recently attracted enormous attention. The label is σ-hole, and it was first used in connection with halogens. It initiated a renaissance of interest in halogenated compounds, and later on, when found also on other groups of atoms (chalcogens, pnicogens, tetrels and aerogens), it resulted in a new direction of research of intermolecular interactions. In this review, we summarize advances from about the last 10 years in understanding those interactions related to σ-hole. We pay particular attention to theoretical and computational techniques, which play a crucial role in the field.
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Cites
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Cited by
Chalcogen bonding in synthesis, catalysis and design of materials
Mahmudov, K. T., Kopylovich, M. N., Guedes da Silva, M. F. C., & Pombeiro, A. J. L. (2017) · Dalton Transactions · doi:10.1039/c7dt01685a · Cited by 466
Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications
Řezáč, J., & Hobza, P. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00526 · Cited by 455
Self-citationChristensen, A. S., Kubař, T., Cui, Q., & Elstner, M. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00584 · Cited by 446
Sigma-Hole Interactions in Anion Recognition
Lim, J. Y. C., & Beer, P. D. (2018) · Chem · doi:10.1016/j.chempr.2018.02.022 · Cited by 428
Anion Recognition Strategies Based on Combined Noncovalent Interactions
Molina, P., Zapata, F., & Caballero, A. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00814 · Cited by 406
Metadata
- Authors
- Kolář, M. H., & Hobza, P.
- Venue
- Chemical Reviews
- Publisher
- American Chemical Society (ACS)
- Published
- 2016-02-03
- Volume
- 116
- Issue
- 9
- Pages
- 5155-5187
- ISSN
- 0009-2665 (ISSN-L)
- 1520-6890
- OpenAlex
- W2262253939
- Cited by
- 660
- References
- 6
- FWCI
- 3.94
- Type
- journal article
- Language
- en
- Open access
- green
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