The DOI matches its Crossref record; 47 of the 47 references it cites were found in a registry or an index.
Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons
Abstract
This paper reports the application of the recently proposed formalism known as generalized population analysis (GPA) as a new means for the quantitative characterization of the aromaticity of various benzenoid rings in polycyclic aromatic hydrocarbons (PAHs). The quantity which we propose as a new measure of aromaticity is the so‐called six‐center bond index. The values of this index characterize the extent of delocalized cyclic bonding in individual benzenoid rings of PAHs and it is shown that the scale of the aromaticity represented by this index closely reflects the intuitive idea according to which the aromaticity of individual rings in PAHs can be gauged by the degree of similarity to benzene itself. In addition, the relation of the newly introduced index of aromaticity to other existing aromaticity measures is discussed. Consistent with the presumed orthogonality of classical and magnetic criteria of aromaticity, the classifications based on these two classes of aromaticity measures were found usually to be opposite. Copyright © 2005 John Wiley & Sons, Ltd.
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Cites
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
Mulliken, R. S. (1955) · The Journal of Chemical Physics · doi:10.1063/1.1740588 · Cited by 11,049
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
Wiberg, K. B. (1968) · Tetrahedron · doi:10.1016/0040-4020(68)88057-3 · Cited by 4,467
Atoms in Molecules — a Quantum Theory
Orville-Thomas, W. J. (1996) · Journal of Molecular Structure: THEOCHEM · doi:10.1016/s0166-1280(96)90925-2 · Cited by 2,826
Charge, bond order and valence in the AB initio SCF theory
Mayer, I. (1983) · Chemical Physics Letters · doi:10.1016/0009-2614(83)80005-0 · Cited by 2,267
Structural Aspects of Aromaticity
Krygowski, T. M., & Cyrański, M. K. (2001) · Chemical Reviews · doi:10.1021/cr990326u · Cited by 1,411
Aromaticity as a Cornerstone of Heterocyclic Chemistry
Balaban, A. T., Oniciu, D. C., & Katritzky, A. R. (2004) · Chemical Reviews · doi:10.1021/cr0306790 · Cited by 805
Schleyer, P. V. R. (2001) · Chemical Reviews · doi:10.1021/cr0103221 · Cited by 783
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A 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
An electronic aromaticity index for large rings
Matito, E. (2016) · Physical Chemistry Chemical Physics · doi:10.1039/c6cp00636a · Cited by 201
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
Matito, E., Salvador, P., Duran, M., & Solà, M. (2006) · The Journal of Physical Chemistry A · doi:10.1021/jp057387i · Cited by 91
A new perspective on quantifying electron localization and delocalization in molecular systems
Szczepanik, D. W. (2016) · Computational and Theoretical Chemistry · doi:10.1016/j.comptc.2016.02.003 · Cited by 75
Metadata
- Authors
- Bultinck, P., Ponec, R., & Van Damme, S.
- Venue
- Journal of Physical Organic Chemistry
- Publisher
- Wiley
- Published
- 2005-04-13
- Volume
- 18
- Issue
- 8
- Pages
- 706-718
- ISSN
- 0894-3230 (ISSN-L)
- 1099-1395
- OpenAlex
- W2065066384
- Cited by
- 477
- References
- 47
- FWCI
- 7.74
- Type
- journal article
- Language
- en
- Open access
- closed
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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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