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

The Induced Magnetic Field in Cyclic Molecules

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

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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Crossref · 10.1002/chem.200400457

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  1. Klod S., 2001, J. Chem. Soc. Perkin Trans. 2, 1893

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Authors
Merino, G., Heine, T., & Seifert, G.
Affiliations
Technische Universität Dresden (DE)
Corresponding author
Heine, Thomas
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
OpenAlex
W2008885737
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
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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