4.7 Article

Anion-π interactions and positive electrostatic potentials of N-heterocycles arise from the positions of the nuclei, not changes in the π-electron distribution

Journal

CHEMICAL COMMUNICATIONS
Volume 50, Issue 76, Pages 11118-11121

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cc05304d

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Funding

  1. National Science Foundation [CHE-1254897]
  2. Division Of Chemistry
  3. Direct For Mathematical & Physical Scien [1254897] Funding Source: National Science Foundation

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We show that the positive electrostatic potentials and molecular quadrupole moments characteristic of pi-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 pi-electron density distribution.

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