Endohedral metal-nitride cluster ordering in metallofullerene-NiII(OEP) complexes and crystals : A theoretical study

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Endohedral metal-nitride cluster ordering in metallofullerene-NiII(OEP) complexes and crystals_A theoretical study.pdf(2.41 MB)
Date
2019
Authors
Volume
21
Issue
16
Journal
Series Titel
Book Title
Publisher
Cambridge : RSC Publ.
Link to publishers version
https://doi.org/10.1039/c9cp00634f
Abstract

The ordering of endohedral clusterfullerenes Sc3N@C80 and YSc2N@C80 co-crystallized with Ni(OEP) and isolated complexes with Ni(OEP) have been investigated theoretically. Having used multiple orientations of M3N clusters inside the cages with Fibonacci sampling, we describe the effect of intermolecular interactions on the orientation of the endohedral cluster. © the Owner Societies.

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Keywords
Refractory metal compounds, Cluster order, Clusterfullerenes, Endohedral clusters, Intermolecular interactions, Metal nitrides, Metallofullerenes, Multiple orientations, Theoretical study, Crystals
URI
https://oa.tib.eu/renate/handle/123456789/6603
 https://doi.org/10.34657/5650
Citation
Dubrovin, V., Gan, L.-H., Büchner, B., Popov, A. A., & Avdoshenko, S. M. (2019). Endohedral metal-nitride cluster ordering in metallofullerene-NiII(OEP) complexes and crystals : A theoretical study. 21(16). https://doi.org//10.1039/c9cp00634f
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Physik
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CC BY 3.0 Unported
https://creativecommons.org/licenses/by/3.0/