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Endohedral metal-nitride cluster ordering in metallofullerene–NiII(OEP) complexes and crystals: a theoretical study
- Source :
- Physical chemistry chemical physics : PCCP, Physical Chemistry Chemical Physics
- Publication Year :
- 2019
- Publisher :
- Royal Society of Chemistry (RSC), 2019.
-
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.
- Subjects :
- Materials science
Fibonacci number
Intermolecular force
General Physics and Astronomy
02 engineering and technology
Nitride
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Article
3. Good health
0104 chemical sciences
Metal
Crystallography
chemistry.chemical_compound
chemistry
visual_art
Metallofullerene
visual_art.visual_art_medium
Cluster (physics)
Physical and Theoretical Chemistry
0210 nano-technology
Subjects
Details
- ISSN :
- 14639084 and 14639076
- Volume :
- 21
- Database :
- OpenAIRE
- Journal :
- Physical Chemistry Chemical Physics
- Accession number :
- edsair.doi.dedup.....7414bf0322594927e1d833665aea3208
- Full Text :
- https://doi.org/10.1039/c9cp00634f