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On the condensed Fukui function
Open accessAbstract
A critical comparison among recently proposed methods for evaluating the condensed Fukui function neglecting relaxation effects is presented. The sign of the condensed Fukui function is discussed and arguments for a positive definite condensed Fukui function are given. Our numerical calculations in two series of molecules show that: (i) the condensed Fukui function can give, in general, valuable information about the site selectivity in chemical reactions and systematization in a family of molecules. In particular, it has been shown that the selectivity towards protonation in anilines and derivatives molecules can be correctly assessed by the electrophilic Fukui function described in this paper. Within this approach non-negative values for the condensed Fukui function are obtained for the relevant protonation sites in these polyfunctional systems; and (ii) the solvent effects on the condensed Fukui function are negligible, confirming a recently presented theoretical prediction.
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Cites
Hohenberg, P., & Kohn, W. (1964) · Physical Review · doi:10.1103/physrev.136.b864 · Cited by 53,541
Density Functional Theory of Atoms and Molecules
Parr, R. G. (1980) · Horizons of Quantum Chemistry · doi:10.1007/978-94-009-9027-2_2 · Cited by 11,964
Absolute hardness: companion parameter to absolute electronegativity
Parr, R. G., & Pearson, R. G. (1983) · Journal of the American Chemical Society · doi:10.1021/ja00364a005 · Cited by 7,910
Electric Moments of Molecules in Liquids
Onsager, L. (1936) · Journal of the American Chemical Society · doi:10.1021/ja01299a050 · Cited by 5,329
Density functional approach to the frontier-electron theory of chemical reactivity
Parr, R. G., & Yang, W. (1984) · Journal of the American Chemical Society · doi:10.1021/ja00326a036 · Cited by 3,660
Electronegativity: The density functional viewpoint
Parr, R. G., Donnelly, R. A., Levy, M., & Palke, W. E. (1978) · The Journal of Chemical Physics · doi:10.1063/1.436185 · Cited by 3,404
A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons
Fukui, K., Yonezawa, T., & Shingu, H. (1952) · The Journal of Chemical Physics · doi:10.1063/1.1700523 · Cited by 2,331
Solvent effects. 1. The mediation of electrostatic effects by solvents
Wong, M. W., Frisch, M. J., & Wiberg, K. B. (1991) · Journal of the American Chemical Society · doi:10.1021/ja00013a010 · Cited by 974
On non-negativity of Fukui function indices
Roy, R. K., Pal, S., & Hirao, K. (1999) · The Journal of Chemical Physics · doi:10.1063/1.478792 · Cited by 305
A relationship between the charge capacity and the hardness of neutral atoms and groups
Politzer, P. (1987) · The Journal of Chemical Physics · doi:10.1063/1.452296 · Cited by 214
Cited by
Theoretical Modeling of Zeolite Nanoparticle Surface Acidity for Heavy Oil Upgrading
Stoyanov, S. R., Gusarov, S., Kuznicki, S. M., & Kovalenko, A. (2008) · The Journal of Physical Chemistry C · doi:10.1021/jp075688h · Cited by 61
Gálvez-Rodríguez, A., Ferino-Pérez, A., Rodríguez-Riera, Z., Guerra, I. R., & Jáuregui-Haza, U. J. (2023) · Journal of Molecular Graphics and Modelling · doi:10.1016/j.jmgm.2023.108569 · Cited by 2
Metadata
- Authors
- Fuentealba, P., Pérez, P., & Contreras, R.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2000-08-15
- Volume
- 113
- Issue
- 7
- Pages
- 2544-2551
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2042894184
- Cited by
- 417
- References
- 13
- FWCI
- 6.88
- Type
- journal article
- Language
- en
- Open access
- green
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