The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Ab initio determination of the induced ring current in aromatic molecules
Abstract
The aromatic ring current shieldings (ARCS) approach is a new method to determine the strength of the induced ring current which is related to the molecular aromaticity. In the ARCS method, the strength of the induced aromatic ring current and the size of the current ring are obtained from nuclear magnetic shieldings calculated in discrete points along a line perpendicular to the molecular plane starting at the center of the molecule. The induced ring currents are used to determine the relative degree of aromaticity for benzene, furan, pyrrole, cyclohexane, cyclohexadiene, thiophen, p-benzoquinone, cyclopentadienide anion, cycloheptatrienyl cation, 1,4-dihydronaphthalene, and prophin.
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Citations
Cites
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
Schleyer, P. V. R., Maerker, C., Dransfeld, A., Jiao, H., & van Eikema Hommes, N. J. R. (1996) · Journal of the American Chemical Society · doi:10.1021/ja960582d · Cited by 6,210
Cited by
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
Which NICS Aromaticity Index for Planar π Rings Is Best?
Fallah-Bagher-Shaidaei, H., Wannere, C. S., Corminboeuf, C., Puchta, R., & Schleyer, P. V. R. (2006) · Organic Letters · doi:10.1021/ol0529546 · Cited by 1,257
Magnetic criteria of aromaticity
Gershoni-Poranne, R., & Stanger, A. (2015) · Chem. Soc. Rev. · doi:10.1039/c5cs00114e · Cited by 494
Induced magnetic fields in aromatic [n]-annulenes—interpretation of NICS tensor components
Corminboeuf, C., Heine, T., Seifert, G., Schleyer, P. V. R., & Weber, J. (2004) · Phys. Chem. Chem. Phys. · doi:10.1039/b313383b · Cited by 458
Calculations of magnetically induced current densities: theory and applications
Sundholm, D., Fliegl, H., & Berger, R. J. F. (2016) · WIREs Computational Molecular Science · doi:10.1002/wcms.1270 · Cited by 373
Self-citation
Metadata
- Authors
- Juse´lius, J., & Sundholm, D.
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 1999
- Volume
- 1
- Issue
- 15
- Pages
- 3429-3435
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W2043566512
- Cited by
- 180
- References
- 1
- FWCI
- 2.46
- Type
- journal article
- Language
- en
- Open access
- closed
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- Juse´lius, J., & Sundholm, D. (1999). Ab initio determination of the induced ring current in aromatic molecules. Physical Chemistry Chemical Physics. https://doi.org/10.1039/a903847g
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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