To What Extent Can Aromaticity Be Defined Uniquely?
Friedrich-Alexander-Universität Erlangen-Nürnberg · University of Warsaw · +2 more institutions
Abstract
Statistical analyses of quantitative definitions of aromaticity, ASE (aromatic stabilization energies), RE (resonance energies), Lambda (magnetic susceptibility exaltation), NICS, HOMA, I5, and A(J), evaluated for a set of 75 five-membered pi-electron systems: aza and phospha derivatives of furan, thiophene, pyrrole, and phosphole (aromatic systems), and a set of 30 ring-monosubstituted compounds (aromatic, nonaromatic, and antiaromatic systems) revealed statistically significant correlations among the various aromaticity criteria, provided the whole set of compounds is involved. Hence, broadly considered, the various manifestations of aromaticity are related and aromaticity can be regarded statistically as a…
Citation impact
- FWCI
- 27.00
- Percentile
- 100%
- References
- 29
Authors
4- MKMichał K. CyrańskiCorresponding
Friedrich-Alexander-Universität Erlangen-Nürnberg, University of Warsaw, University of Georgia, University of Florida
- TMTadeusz M. Krygowski
Friedrich-Alexander-Universität Erlangen-Nürnberg, University of Florida, University of Warsaw, University of Georgia
- ARAlan R. Katritzky
University of Warsaw, Friedrich-Alexander-Universität Erlangen-Nürnberg, University of Florida, University of Georgia
- PVPaul von Ragué Schleyer
University of Florida, Friedrich-Alexander-Universität Erlangen-Nürnberg, University of Warsaw, University of Georgia
Topics & keywords
- Aromaticity
- Antiaromaticity
- Furan
- Thiophene
- Phosphole
- Pyrrole
- Ring (chemistry)
- Chemistry
- Affordable and clean energy