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Turning Frustration into Bond Activation: A Theoretical Mechanistic Study on Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs
Abstract
Just before splitting: A mechanistic model has been proposed for H2 activation by sterically demanding phosphine–borane Lewis pairs. There is theoretical evidence for noncovalent intermolecular association of donor–acceptor molecules to form a flexible but energetically strained complex, which provides preorganized active centers for heterolytic HH bond cleavage (see picture).
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Citations
Cited by
B–N compounds for chemical hydrogenstorage
Hamilton, C. W., Baker, R. T., Staubitz, A., & Manners, I. (2009) · Chem. Soc. Rev. · doi:10.1039/b800312m · Cited by 1,087
Double‐hybrid density functionals
Goerigk, L., & Grimme, S. (2014) · WIREs Computational Molecular Science · doi:10.1002/wcms.1193 · Cited by 396
Metadata
- Authors
- Rokob, T. A., Hamza, A., Stirling, A., Soós, T., & Pápai, I.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2008-03-10
- Volume
- 47
- Issue
- 13
- Pages
- 2435-2438
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W2171180989
- Cited by
- 403
- References
- 0
- FWCI
- 17.33
- Type
- journal article
- Language
- en
- Open access
- closed
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- The paper
- Rokob, T. A., Hamza, A., Stirling, A., Soós, T., & Pápai, I. (2008). Turning Frustration into Bond Activation: A Theoretical Mechanistic Study on Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.200705586
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
