Molecular Magnetic Response and Aromaticity
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Computational and Theoretical Chemistry".
Deadline for manuscript submissions: 28 February 2026 | Viewed by 1270
Special Issue Editor
Special Issue Information
Dear Colleagues,
Magnetic response properties have long been used as diagnostic tools to evaluate aromaticity in molecular systems. Techniques such as magnetically induced current density analysis and magnetic susceptibility tensors are central to the ring current model, which connects electron delocalization with quantifiable magnetic behavior. However, more research into systems containing heteroatoms, transition metals, and three-dimensional frameworks has exposed significant challenges in applying magnetic criteria. Complex anisotropic responses and the interplay between local and global current pathways often complicate the interpretation of aromaticity based solely on magnetic response calculations.
Despite these challenges, magnetic properties remain crucial for assessing electron delocalization and aromatic character, particularly when combined with complementary energetic and electronic descriptors. This Special Issue welcomes contributions that address both methodological advancements and critical assessments of magnetic criteria for aromaticity, with applications to diverse systems such as boron clusters, organometallic compounds, and non-planar π-conjugated molecules. We aim to obtain a deeper understanding of the opportunities and limitations of magnetic response in contemporary studies of aromaticity.
Dr. Mesías Orozco-Ic
Guest Editor
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Keywords
- aromaticity
- magnetic response calculations
- magnetic shielding
- magnetically induced current densities.
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