Cited by 340Synthesis and Properties of Aromatic CompoundsMagnetism in coordination complexesAdvanced Chemical Physics Studies

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The Induced Magnetic Field in Cyclic Molecules

Merino, Gabriel, Heine, Thomas, Seifert, Gotthard·2004·Chemistry – A European Journal

DOI 10.1002/chem.200400457

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Abstract

The response of a molecule to an applied external magnetic field can be evaluated by a graphical representation of the induced magnetic field. We have applied this technique to four representative, cyclic organic molecules, that is, to aromatic (C 6 H 6 , D 6 h ), anti‐aromatic (C 4 H 4 , D 2 h ) and non‐aromatic (C 4 H 8 , D 4 h , and C 6 H 12 , D 3 d ) molecules. The results show that molecules that contain a π system possess a long‐range magnetic response, while the induced magnetic field is short‐range for molecules without π systems. The induced magnetic field of aromatic molecules shields the external field. In contrast, the anti‐aromatic molecules increase the applied field inside the ring. Aromatic, anti‐aromatic, and non‐aromatic molecules can be characterized by the appearance of the magnetic response. We also show that the magnetic response is directly connected to nucleus‐independent chemical shifts (NICS).

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Authors: Merino, G., Heine, T., & Seifert, G.
Affiliations: Technische Universität Dresden (DE)
Corresponding author: Heine, Thomas
ORCID: Merino, Gabriel
Heine, Thomas
Seifert, Gotthard
Venue: Chemistry – A European Journal
Publisher: Wiley
Published: 2004-08-23
Volume: 10
Issue: 17
Pages: 4367-4371
ISSN: 0947-6539 (ISSN-L)
1521-3765
DOI: 10.1002/chem.200400457
OpenAlex: W2008885737
Semantic Scholar: 7b8357dc5a25a4111d975b1af74868efab785240
Cited by: 340
References: 33
Citations by year: 2026: 22 · 2025: 30 · 2024: 20 · 2023: 19 · 2022: 14 · 2021: 25 · 2020: 22 · 2019: 18 · 2018: 25 · 2017: 14 · 2016: 12 · 2015: 19 · 2014: 12 · 2013: 9 · 2012: 13
FWCI: 5.28
Type: journal article
Language: en
Open access: closed
Licence: onlinelibrary.wiley.com/termsAndConditions#vor (vor)
Locations: Chemistry - A European Journal (publishedVersion)
PubMed (publishedVersion)
Funders: Deutsche Forschungsgemeinschaft
Topics: Physical Sciences › Chemistry › Organic Chemistry › Synthesis and Properties of Aromatic Compounds
Physical Sciences › Materials Science › Electronic, Optical and Magnetic Materials › Magnetism in coordination complexes
Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
Keywords: induced magnetic field, cyclic molecules, aromaticity, antiaromaticity, π-systems, magnetic shielding, nucleus-independent chemical shift, cyclohexane, cyclobutadiene, cyclooctane

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The Induced Magnetic Field in Cyclic Molecules

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