• DFT calculation of optical properties of new neutral hexacoordinated Si(bzimpy)2 complexes 

      Bimukhanov, A.N.; Aldongarov, A.A.; Schmedake, T.A. (2019)
      We consider optical properties of 4 neutral hexacoordinated Si(bzimpy) 2 complexes, containing the 2,6- bis(benzimidazol-2 ′ -yl) pyridine ligand using DFT method. The geometrical parameters of the optimized cluster structures, the electronic absorption spectrum, and the molecular orbitals of the structures under consideration are discussed. The effect of addition of the ...
      2023-12-04