Search results for " tubular aggregate"

Computational Study on Cesium Azide Trapped in a Cyclopeptidic Tubular Structure

2008

The structures and the electronic properties of host-guest complexes formed by a cyclopeptidic tubular aggregate and the species CsN3, CS2(N-3)(2), and CS2N6 have been investigated by means of density functional theory. Taking advantage of the azide property to act as a bridge ligand between two or more metal cations, it may be possible to trap N-3(-) ions inside a confined space. This could be important for the preparation of polynitrogen molecules N-n. Results show that there are significant attractive interactions between the azide ion and the cavity walls, which make the ion stay inside the inner empty space of the cyclopeptidic aggregate. The confinement of the species CS2(N-3)(2) forc…

Studio teorico dell’interazione host-guest fra un sistema tubolare ciclopeptidico e la cesio azide

2006

Studio teorico sul confinamento delle azidi di metalli alcalino-terrosi nella cavità di un aggregato tubolare ciclopeptidico

2008