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Updated: Oct 16, 2025

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Analysis of the Orbital and Electrostatic Contributions to the Lone Pair-Aromatic Interaction Using Molecular Rotors
Erik C Vik1, Ping Li1, Daniel O Madukwe1
1Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208, United States.
Abstract:
The attractive interaction between carbonyl oxygens and the π-face of aromatic surfaces was studied using N-phenylimide molecular rotors. The C═O···Ar interactions could stabilize the transition states but were half the strength of comparable C═O···C═O interactions. The C═O···Ar interaction had a significant electrostatic component but only a small orbital delocalization component.
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