Direct experimental evidence for halogen-aryl π interactions in solution from molecular torsion balances

Item Type:	Article
Title:	Direct experimental evidence for halogen-aryl π interactions in solution from molecular torsion balances
Creators Name:	Sun, H. and Horatscheck, A. and Martos, V. and Bartetzko, M. and Uhrig, U. and Lentz, D. and Schmieder, P. and Nazaré, M.
Abstract:	We dissected halogen-aryl π interactions experimentally using a bicyclic N-arylimide based molecular torsion balances system, which is based on the influence of the non-bonded interaction on the equilibria between folded and unfolded states. Through comparison of balances modulated by higher halogens with fluorine balances, we determined the magnitude of the halogen-aryl π interactions in our unimolecular systems to be larger than -5.0 kJ mol(-1), which is comparable with the magnitude estimated in the biomolecular systems. Our study provides direct experimental evidence of halogen-aryl π interactions in solution, which until now have only been revealed in the solid state and evaluated theoretically by quantum-mechanical calculations.
Keywords:	Halogen Bonding, Halogen-Aryl π Interactions, Molecular Balances, Molecular Recognition, Residual Dipolar Coupling
Source:	Angewandte Chemie International Edition
ISSN:	1433-7851
Publisher:	Wiley-VCH
Volume:	56
Number:	23
Page Range:	6454-6458
Date:	1 June 2017
Official Publication:	https://doi.org/10.1002/anie.201700520
PubMed:	View item in PubMed

Repository Staff Only: item control page