The DOI matches its Crossref record; 5 of the 5 references it cites were found in a registry or an index.
Assessment of Clar's aromatic π‐sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity
Abstract
The local aromaticity of a series of benzenoid systems was determined through the use of structurally (HOMA) and magnetically (NICS) based measures, and also by using a new electronically based indicator of aromaticity, the para‐delocalization index (PDI). The results were compared with the predictions of Clar's aromatic π‐sextet rule. It is found that, for all analyzed benzenoid hydrocarbons having a single Clar structure, local aromaticity orderings of the different six‐membered rings given by all descriptors of aromaticity tested are identical and in agreement with Clar's aromatic π‐sextet rule. For benzenoid species that are described by a superposition of Clar structures, HOMA and PDI indices provide local aromaticity values that are totally consistent with Clar's rule, whereas NICS results deviate somewhat from the estimations based on this model. Copyright © 2005 John Wiley & Sons, Ltd.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
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
Krygowski, T. M. (1993) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00011a011 · Cited by 1,320
To What Extent Can Aromaticity Be Defined Uniquely?
Cyrañski, M. K., Krygowski, T. M., Katritzky, A. R., & Schleyer, P. V. R. (2002) · The Journal of Organic Chemistry · doi:10.1021/jo016255s · Cited by 727
The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization
Matito, E., Duran, M., & Solà, M. (2005) · The Journal of Chemical Physics · doi:10.1063/1.1824895 · Cited by 516
Self-citationPoater, J., Fradera, X., Duran, M., & Solà, M. (2003) · Chemistry – A European Journal · doi:10.1002/chem.200390041 · Cited by 449
Self-citation
Cited by
Poater, J., Duran, M., Solà, M., & Silvi, B. (2005) · Chemical Reviews · doi:10.1021/cr030085x · Cited by 803
Self-citationA uniform approach to the description of multicenter bonding
Szczepanik, D. W., Andrzejak, M., Dyduch, K., Żak, E., Makowski, M., Mazur, G., & Mrozek, J. (2014) · Physical Chemistry Chemical Physics · doi:10.1039/c4cp02932a · Cited by 207
Szczepanik, D. W., Solà, M., Andrzejak, M., Pawełek, B., Dominikowska, J., Kukułka, M., Dyduch, K., Krygowski, T. M., & Szatylowicz, H. (2017) · Journal of Computational Chemistry · doi:10.1002/jcc.24805 · Cited by 107
Self-citationIs coronene better described by Clar's aromatic π‐sextet model or by the AdNDP representation?
Kumar, A., Duran, M., & Solà, M. (2017) · Journal of Computational Chemistry · doi:10.1002/jcc.24801 · Cited by 46
Self-citation
Metadata
- Authors
- Portella, G., Poater, J., & Solà, M.
- Venue
- Journal of Physical Organic Chemistry
- Publisher
- Wiley
- Published
- 2005-05-05
- Volume
- 18
- Issue
- 8
- Pages
- 785-791
- ISSN
- 0894-3230 (ISSN-L)
- 1099-1395
- OpenAlex
- W2026729555
- Cited by
- 170
- References
- 5
- FWCI
- 3.18
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Assessment of Clar's aromatic π‐sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity. https://app.cochat.ai/papers/10.1002/poc.938
- The paper
- Portella, G., Poater, J., & Solà, M. (2005). Assessment of Clar's aromatic π‐sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity. Journal of Physical Organic Chemistry. https://doi.org/10.1002/poc.938
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
