摘要
Simulated UV-vis and CD （circular dichroism） spectra were obtained for several chiral Schiff base Ni（II）, Cu（II） and Zn（II） complexes by TD-DFT （time dependent-density functional theory）and Z1NDO calculations. Dipole moments for them were also evaluated by ZINDO calculations and revealed that Cu（II） complexes exhibited the largest values than the analogous Ni（II） and Zn（II） complexes. Although these complexes possessed large dipole moments, induced CD by these complexes were observed a Cu（II）-containing metallodendrimer nor Cu-nanoclusters prepared in a PAMAM （polyamidoamine） dendrimer experimentally nevertheless of other related chiral Schiff base Ni（II）, Cu（II）, and Zn（II） complexes. The present results suggested that steric factors of ligands were more important than electronic factors for emerging induced CD bands by supramolecular interactions.
