Work

A Stable Hemicarceplex With an Encapsulated Cationic Guest

Year: 2026

Type: article

Abstract: ABSTRACT A hemicarcerand first reported by Quan and Cram in 1991 was prepared and characterized by X‐ray crystallography. It incorporates CoCp 2 + PF 6 − with an equilibrium constant of ~220 M −1 at 120°C and apparently is indefinitely stable at room temperature. This potential weakly coordinating cation's structure was also determined by X‐ray analysis, and the cation is located on the inside and the counteranion on the outside of the cage through one of its four potential openings. Computations model these results and suggest that the imine linker needs to be modified to reduce the electrostatic attraction of the oppositely charged ions by physically separating them further.

Source: Journal of Physical Organic Chemistry

DOI: 10.1002/poc.70098

Authors: Casey Lee‐Foss, Alex Lovstedt, Lewis Nguyen, Steven R. Kass

Institutions: University of Minnesota, Indiana University Bloomington, Indiana University, Denison University

Language: English

Topic: Supramolecular Chemistry and Complexes

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,930

Funders: National Science Foundation, Battelle, Denison University, Division of Chemistry