Charge Density Studies of Tetraazamacrocyclic Complexes of Copper(II) and Nickel(II)

Sławomir Domagała 1Maksymilian Chruszcz 2Krzysztof Woźniak 1Waldek Minor 2

1. Warsaw University, Faculty of Chemistry, Pasteura 1, Warszawa 02-093, Poland
2. University of Virginia, Molecular Physiology and Biophysics Dept. (UVA), 1300 Jefferson Park Av., Charlottesville, VA 22908, United States


In this contribution will present details of charge density studies of some model tetraazamacrocyclic complexes of copper(II) and nickel(II). These are starting building blocks which we use to make some new face-to-face hetero- and homo-dinuclear complexes containing interacting metal ions in identical tetraazamacrocyclic environment. As a next step we use such bismacrocylic complexes and benzocrown ethers to make homo- and hetero-[2]catenanes.. We are interested in interactions between the metal centers which can be fine-tuned and monitored by magnetic and electrochemical measurements. We observe an interesting effect in a transition-metal heterodinuclear catenane - a translocation of the crown unit back and forth between two different metal centers in response to an external stimulus- an applied potential. Unfortunately, not all of these compounds crystallize and diffract X-rays well enough to perform reliable multipole refinement so this work will be restricted only to some model macrocyclic complexes (Figure 1 below).


Figure 1. Tetraazamacrocyclic complex of Ni(II).

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Presentation: poster at 18th Conference on Physical Organic Chemistry, Posters, by Sławomir Domagała
See On-line Journal of 18th Conference on Physical Organic Chemistry

Submitted: 2006-07-20 15:34
Revised:   2009-06-07 00:44
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