Anion-π interactions and positive electrostatic potentials of N-heterocycles arise from the positions of the nuclei, not changes in the π-electron distribution
We show that the positive electrostatic potentials and molecular quadrupole moments characteristic of π-acidic azines, which underlie the ability of these rings to bind anions above their centres, arise from the position of nuclear charges, not changes in the π-electron density distribution.
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Veröffentlicht in: | Chemical communications (Cambridge, England) England), 2014-10, Vol.50 (76), p.11118-11121 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | We show that the positive electrostatic potentials and molecular quadrupole moments characteristic of π-acidic azines, which underlie the ability of these rings to bind anions above their centres, arise from the position of nuclear charges, not changes in the π-electron density distribution. |
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ISSN: | 1359-7345 1364-548X |
DOI: | 10.1039/c4cc05304d |