The DOI matches its Crossref record; 33 of the 33 references it cites were found in a registry or an index.
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]
Citations
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Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
Chen, Z., Wannere, C. S., Corminboeuf, C., Puchta, R., & Schleyer, P. V. R. (2005) · Chemical Reviews · doi:10.1021/cr030088+ · Cited by 3,847
Cyrański, M. K. (2005) · Chemical Reviews · doi:10.1021/cr0300845 · Cited by 642
Calculations of magnetically induced current densities: theory and applications
Sundholm, D., Fliegl, H., & Berger, R. J. F. (2016) · Wiley Interdisciplinary Reviews Computational Molecular Science · doi:10.1002/wcms.1270 · Cited by 385
Islas, R., Heine, T., & Merino, G. (2012) · Accounts of Chemical Research · doi:10.1021/ar200117a · Cited by 299
Self-citationRecent advances in planar tetracoordinate carbon chemistry
Merino, G., Mendéz-Rojas, M. A., Vela, A., & Heine, T. (2006) · Journal of Computational Chemistry · doi:10.1002/jcc.20515 · Cited by 258
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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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