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The Induced Magnetic Field in Cyclic Molecules
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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“We perform a detailed analysis of the magnetic response of C 2N (N = 3-14) rings which is directly related to the aromatic/antiaromatic behavior, [37][38][39][40][41][42]”
From Induced magnetic field in sp-hybridized carbon rings: analysis of double aromaticity and antiaromaticity in cyclo[2 N ]carbon allotropes (2020) · cites this paper as [37]
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Parida, R., Reddy, G. N., Osorio, E. H., Muñoz‐Castro, A., Mondal, S., & Giri, S. (2020) · Chemical Physics Letters · doi:10.1016/j.cplett.2020.137414 · Cited by 11
Papadopoulos, A. G., Charistos, N. D., & Muñoz‐Castro, A. (2016) · New Journal of Chemistry · doi:10.1039/c5nj03573b · Cited by 10
Metadata
- 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
- 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
- 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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