ArticleChemical science2022
Pushing the limits of the hydrogen bond enhanced halogen bond-the case of the C-H hydrogen bond.
Article in Chemical science, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- The Next Frontier in the Study of Noncovalent Bonding: Transition Metals.Molecules (Basel, Switzerland) · 2025Article
- Review
- From Coordination to Noncoordination: Syntheses and Substitution Lability Studies of Titanium Triflato Complexes.Inorganic chemistry · 2024Article
- Synthesis and conformational analysis of pyran inter-halide analogues of ᴅ-talose.Beilstein journal of organic chemistry · 2024Article
- Chiral Bromonium Salt (Hypervalent Bromine(III)) withMolecules (Basel, Switzerland) · 2023Article
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Authors and funding
4 authors.
Funding
Abstract
C-H hydrogen bonds have remarkable impacts on various chemical systems. Here we consider the influence of C-H hydrogen bonds to iodine atoms. Positioning a methyl group between two iodine halogen bond donors of the receptor engendered intramolecular C-H hydrogen bonding (HBing) to the electron-rich belt of both halogen bond donors. When coupled with control molecules, the role of the C-H hydrogen bond was evaluated. Gas-phase density functional theory studies indicated that methyl C-H hydrogen bonds help bias a bidentate binding conformation. Interaction energy analysis suggested that the charged C-H donors augment the halogen bond interaction-producing a >10 kcal mol
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