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Ammonium Ion Complexes of Tetraethyl Resorcarene: An Ab Initio Study |
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| Authors: | MARKO MÄKINEN JUKKA-PEKKA JALKANEN |
| Institution: | 1. Department of Chemistry , University of Joensuu , PO Box 111, 80101, Joensuu, Finland;2. Dipartimento di Chimica ‘G. Ciamician’ , Universita di Bologna , Via F. Selmi 2, Bologna, 40126, Italy |
| Abstract: | 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. |
| Keywords: | Resorcarenes Ab initio calculations Supramolecular complexes Ammonium ions |