The relative position of π–π interacting rings notably changes the nature of the substituent effect
- 11 May 2020
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 22 (21) , 12068-12081
Abstract
The nature of the substituent effect depends markedly on the relative position of the interacting rings. Contributions not directly related to the π–π interaction can significantly affect the observed value.Keywords
Funding Information
- Consellería de Cultura, Educación e Ordenación Universitaria, Xunta de Galicia (ED431C 2017/17)
This publication has 64 references indexed in Scilit:
- Size‐Selective Encapsulation of C60 by [10]Cycloparaphenylene: Formation of the Shortest Fullerene‐PeapodAngewandte Chemie International Edition, 2011
- Are Anion/π Interactions Actually a Case of Simple Charge−Dipole Interactions?†The Journal of Physical Chemistry A, 2010
- A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuThe Journal of Chemical Physics, 2010
- Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted ArenesJournal of Chemical Theory and Computation, 2009
- Origin of substituent effects in edge-to-face aryl–aryl interactionsMolecular Physics, 2009
- Substituent Effects in Cation/π Interactions and Electrostatic Potentials above the Centers of Substituted Benzenes Are Due Primarily to Through-Space Effects of the SubstituentsJournal of the American Chemical Society, 2009
- Substituent Effects in the Benzene Dimer are Due to Direct Interactions of the Substituents with the Unsubstituted BenzeneJournal of the American Chemical Society, 2008
- Ball-, Bowl-, and Belt-Shaped Conjugated Systems and Their Complexing Abilities: Exploration of the Concave−Convex π−π InteractionChemical Reviews, 2006
- State of the Art and Challenges of the ab Initio Theory of Intermolecular InteractionsChemical Reviews, 2000
- The nature of .pi.-.pi. interactionsJournal of the American Chemical Society, 1990