Ammonium Ion Complexes of Tetraethyl Resorcarene: An Ab Initio Study

The complexation of various ammonium ions with a resorcarene host was evaluated by ab initio calculations. The approximations of the binding locations and the interaction energies for each guest are reported. The supramolecular complex formation also affects the conformation of the resorcarene host.

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Bibliographic Details
Published in:Supramolecular chemistry 2005-07, Vol.17 (5), p.377-381
Main Authors: MÄKINEN, MARKO, JALKANEN, JUKKA-PEKKA, VAINIOTALO, PIRJO
Format: Article
Language:English
Subjects:
Ab initio calculations
Ammonium ions
Resorcarenes
Supramolecular complexes
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Description
Summary:The complexation of various ammonium ions with a resorcarene host was evaluated by ab initio calculations. The approximations of the binding locations and the interaction energies for each guest are reported. The supramolecular complex formation also affects the conformation of the resorcarene host.
ISSN:1061-0278
1029-0478
DOI:10.1080/10610270500074141