Evaluation on The Structural as Selective Elective For Removing Trace Metal Ions by Some Compounds as Selective Sensors With Using Semi-empirical Calculations  

作　　者：Iran Sheikhshoaie 

机构地区：[1]Chemistry Department,Shahid-Bahonar University of Kerman

出　　处：《复旦学报（自然科学版）》2007年第5期866-,共1页Journal of Fudan University：Natural Science

摘　　要：1 Results We have recently reported the successful use of some new ionophores in construction of PVC-based membrane selective sensors for Fe3+,Ni2+,Co2+,Hg2+ and Cd2+ ions by some Schiff base ligands. Schiff bases are one of the most important classes of ligand in coordination chemistry. In this work we reported the optimized structures of four tetra dentate mono azo Schiff base compounds.Using AM1,PM3 and MNDO semi-empirical methods for the optimization of the compounds,then we compared all of theoreti...

关 键 词：IONOPHORE Imine AM1 PM3 MNDO MOPAC HOMO LUMO 

分 类 号：O641.4[理学—物理化学]