ArticleThe journal of physical chemistry. A2020
Optimizing the Energetics of FLP-Type H
Article in The journal of physical chemistry. A, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
What it found
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Who cites it
6 citing papers in PubMed, 23 citations in OpenAlex.
- Triarylborane-Catalyzed Homogeneous Molecular Transformations Using Organic Reductants.Chemical reviews · 2026Article
- Abstraction of Hydride from Alkanes and Dihydrogen by the Perfluorotrityl Cation.Angewandte Chemie (International ed. in English) · 2025Article
- Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron-Based Frustrated Lewis Pairs.ChemistryOpen · 2024Article
- Article
- Hydrogen Activation by Frustrated and Not So Frustrated Lewis Pairs Based on Pyramidal Lewis Acid 9-Boratriptycene: A Computational Study.ACS omega · 2022Article
- HRSC advances · 2021Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The great potential of frustrated Lewis pairs (FLPs) as metal-free catalysts for activation of molecular hydrogen has attracted increasing interest as an alternative to transition-metal catalysts. However, the complexity of FLP systems, involving the simultaneous interaction of three molecules, impedes a detailed understanding of the activation mechanism and the individual roles of the Lewis acid (LA) and Lewis base (LB). In the present work, using density functional theory (DFT) calculations, we examine the reactivity of 75 FLPs for the H
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Registered trials
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