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24 March 2015 Theoretical study of the behavior of cryptand with different ion metal inside carbon nanotube
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Abstract
In this paper we study the behavior of [2.2.2] cryptand with various metal ions (Na, K, Eu, Fe) inside the armchair carbon nanotube. To identify regularities of behavior for cryptand inside a nanotube we carried out a series of numerical experiments in molecular dynamics using Amber force field at different temperatures and under influence of external electric field. We have established the dependence of the oscillation frequency of the cryptand inside a carbon nanotube. On the basis of the established effect of fluctuations for cryptand inside the nanotube is predicted that such complexes can be used as miniature radiating systems.
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O. E. Glukhova, A. S. Kolesnikova, D. A. Melnikov, M. M. Slepchenkov, and V. V. Shunaev "Theoretical study of the behavior of cryptand with different ion metal inside carbon nanotube", Proc. SPIE 9339, Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications VII, 93390Y (24 March 2015); https://doi.org/10.1117/12.2080139
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