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RSS FeedsMolecules, Vol. 24, Pages 1956: Theoretical Study on the Difference in Electron Conductivity of a One-Dimensional Penta-Nickel(II) Complex between Anti-Ferromagnetic and Ferromagnetic States--Possibility of Molecular Switch with Open-Shell Molecules (Molecules)

 
 

21 may 2019 15:02:31

 
Molecules, Vol. 24, Pages 1956: Theoretical Study on the Difference in Electron Conductivity of a One-Dimensional Penta-Nickel(II) Complex between Anti-Ferromagnetic and Ferromagnetic States--Possibility of Molecular Switch with Open-Shell Molecules (Molecules)
 




The electron conductivity of an extended metal atom chain (EMAC) that consisted of penta-nickel(II) ions bridged by oligo-α-pyridylamino ligands was examined by density functional theory (DFT) and elastic scattering Green’s functions (ESGF) calculations. The calculated results revealed that an intramolecular ferromagnetic (FM) coupling state showed a higher conductivity in comparison with an anti-ferromagnetic (AFM) coupling state. The present results suggest the potential of the complex as a molecular switch as well as a molecular wire.


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27 viewsCategory: Biochemistry, Chemistry, Molecular Biology
 
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