Experimental and computational probes of a self-assembled capsule.

Org Lett

The Skaggs Institute for Chemical Biology and the Department of Chemistry, The Scripps Research Institute MB-26, La Jolla, California 92037, USA.

Published: July 2006

AI Article Synopsis

  • The research investigates a synthetic receptor (1.1) that interacts with arylpyridine guest molecules by recognizing their nitrogen atoms.
  • Experimental and computational studies highlight how the receptor's interior surface can distinguish between different guests.
  • Findings suggest that the interactions involve a complex interplay of attractive and repulsive forces concerning the guests' lone pairs of electrons.

Article Abstract

[reaction: see text] This research was undertaken to explore the interior surface of a synthetic receptor 1.1 with arylpyridines as guests. The interior surface differentiates the guests through the recognition of their nitrogen atoms. Experimental and computational analyses revealed that there is a delicate balance of attractions and repulsions between the host and the lone pairs of guests.

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http://dx.doi.org/10.1021/ol0607600DOI Listing

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