ReviewFundamental research2023
The application of aromaticity and antiaromaticity to reaction mechanisms.
Review in Fundamental research, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- The concept of aromaticity after 200 years of benzene.Nature reviews. Chemistry · 2026Review
- Article
- Mechanistic and Kinetic Insights into the Gas-Phase Reaction of p-Toluidine with Amino Radicals: A High-Level Theoretical Study.Journal of molecular modeling · 2026Article
- Reactivity umpolung of the cycloheptatriene core in hexa(methoxycarbonyl)cycloheptatriene.Beilstein journal of organic chemistry · 2026Article
- Dual Lewis Acid-Base Molecular Cages Facilitate Cooperative NChemphyschem : a European journal of chemical physics and physical chemistry · 2025Article
- Analyzing the Energetics of the Four Aromatic Ring Interactions: Theoretical Study.The journal of physical chemistry. A · 2025Article
- Aromaticity Tuning in Biaryl Monophosphines and Their Derivatives.Molecules (Basel, Switzerland) · 2025Article
- Unravelling the Strain: Accurate Ring Strain Energies in Chalcogeniranes and Predictive Models for Most p-Block Three-Membered Rings.Inorganic chemistry · 2025Article
- Mechanism and kinetics of the reaction of atomic hydrogen with allene.Journal of molecular modeling · 2025Article
- Influence of the Nature of Group 15 Element on [AuInorganic chemistry · 2025Article
- First-Principles Path Integral Monte Carlo Studies of the Pseudo Jahn-Teller Effect in the Aromatic Cyclo[10]carbon.The journal of physical chemistry. A · 2025Article
- Theoretical monitoring of aromaticity induction from noble gases to Borole structure.Scientific reports · 2025Article
- The Aromaticity of Osmapentalenes Derivatives - An Analysis Based on Electron-Delocalization Indices.Chemphyschem : a European journal of chemical physics and physical chemistry · 2025Article
- HOMAc: A Parameterization of the Harmonic Oscillator Model of Aromaticity (HOMA) That Includes Antiaromaticity.The Journal of organic chemistry · 2025Article
- Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments.Chemical science · 2024Article
- Comparison of Various Theoretical Measures of Aromaticity within Monosubstituted Benzene.Molecules (Basel, Switzerland) · 2024Article
- NNature communications · 2024Article
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Aromaticity, in general, can promote a given reaction by stabilizing a transition state or a product via a mobility of π electrons in a cyclic structure. Similarly, such a promotion could be also achieved by destabilizing an antiaromatic reactant. However, both aromaticity and transition states cannot be directly measured in experiment. Thus, computational chemistry has been becoming a key tool to understand the aromaticity-driven reaction mechanisms. In this review, we will analyze the relationship between aromaticity and reaction mechanism to highlight the importance of density functional theory calculations and present it according to an approach via either aromatizing a transition state/product or destabilizing a reactant by antiaromaticity. Specifically, we will start with a particularly challenging example of dinitrogen activation followed by other small-molecule activation, C-F bond activation, rearrangement, as well as metathesis reactions. In addition, antiaromaticity-promoted dihydrogen activation, CO
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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.