ArticleNature communications2019
Halogen bonding as a supramolecular dynamics catalyst.
Article in Nature communications, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed, 88 citations in OpenAlex.
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- Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.Chemical science · 2024Article
- Effect of Dynamical Motion inChemistry of materials : a publication of the American Chemical Society · 2024Article
- Iodine(I) pnictogenate complexes as Iodination reagents.Communications chemistry · 2024Article
- Recent Progress in Cyclic Aryliodonium Chemistry: Syntheses and Applications.Chemical reviews · 2023Review
- Advances in the Structural Strategies of the Self-Assembly of Photoresponsive Supramolecular Systems.International journal of molecular sciences · 2022Review
- Cold photo-carving of halogen-bonded co-crystals of a dye and a volatile co-former using visible light.Nature chemistry · 2022Article
- A Look at the Spatial Confining Effect on the Molecular Electrostatic Potential (MEP)-A Case Study of the HF and BrCN Molecules.Molecules (Basel, Switzerland) · 2021Article
- Carbonyl Hypoiodites as Extremely Strong Halogen Bond Donors.Angewandte Chemie (International ed. in English) · 2021Article
- Zn(II) Heteroleptic Halide Complexes with 2-Halopyridines: Features of Halogen Bonding in Solid State.Molecules (Basel, Switzerland) · 2021Article
- Strength of the [Z-I···Hal]Molecules (Basel, Switzerland) · 2021Article
- Neutral Chiral Tetrakis-Iodo-Triazole Halogen-Bond Donor for Chiral Recognition and Enantioselective Catalysis.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
- The First Use of a ReXChemistry (Weinheim an der Bergstrasse, Germany) · 2020Article
- New marine-derived indolymethyl pyrazinoquinazoline alkaloids with promising antimicrobial profiles.RSC advances · 2020Article
- In Situ Assessment of Intrinsic Strength of X-I⋯OA-Type Halogen Bonds in Molecular Crystals with Periodic Local Vibrational Mode Theory.Molecules (Basel, Switzerland) · 2020Article
- Application of Halogen Bonding to Organocatalysis: A Theoretical Perspective.Molecules (Basel, Switzerland) · 2020Review
- Relativistic Effects on NMR Parameters of Halogen-Bonded Complexes.Molecules (Basel, Switzerland) · 2019Article
- Hydrogen Bonding Between Ions of Like Charge in Ionic Liquids Characterized by NMR Deuteron Quadrupole Coupling Constants-Comparison with Salt Bridges and Molecular Systems.Angewandte Chemie (International ed. in English) · 2019Review
- Relationships between Interaction Energy and Electron Density Properties for Homo Halogen Bonds of the [(A)Molecules (Basel, Switzerland) · 2019Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Dynamic processes have many implications in functional molecules, including catalysts, enzymes, host-guest complexes, and molecular machines. Here, we demonstrate via deuterium NMR relaxation experiments how halogen bonding directly impacts the dynamics in solid 2,3,5,6-tetramethylpyrazine cocrystals, catalyzing the methyl group rotation. On average, we observe a reduction of 56% in the rotational activation energy of the methyl groups in the halogen bonded cocrystals, contrasting the reduction of 36% in the hydrogen bonded cocrystals, with respect to pure 2,3,5,6-tetramethylpyrazine. Density functional theory calculations attribute this superior catalytic ability of the halogen bond to the simultaneous destabilization of the staggered conformation and stabilization of the gauche conformation, overall reducing the rotational energy barrier. Furthermore, the calculations suggest that the catalytic ability of the halogen bond may be tuneable, with stronger halogen bond donors acting as superior dynamics catalysts. Thus, halogen bonding may play a role in both assembly and promoting dynamical processes.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.