DNA
The research of artificial DA having the coordination bond is recently studied by Kentaro Tanaka at Nagoya University and Mitsuhiko Shionoya at the University of Tokyo. The mechanism of ferromagnetic interaction among the copper ion (Cu2+) located in the central of the artificial DNA having s = 1/2 spin has not been understood. We calculated the electronic structure of the artificial DNA cluster model by means of DV-Xα molecular orbital calculation. The existence of the ligand field splitting of the metallic copper ion was examined by using the Mulliken's population analysis. In addition, the 3D dispersion of the molecular orbital were confiemed by the software VESTA. In this study we report the mechanism of the ferromagnetic interaction is caused not from the direct interaction among the central copper(II) ions, but from the Hund's energy prevented from the interlayer interactions among the twisted artificial DNA layers.
