Synthesis and Characterization of Cu(I)-Folic Acid Complex A Theoretical and Experimental Study Salah Aldin Jassim Humadi | Faliah Hassan Ali Al-Jeboori | Kafa Khalaf Hammud | Thaera A. Mussa

الملخص

Copper (I) complex containing folic acid ligand was prepared and characterized on the basis of metal analyses, UV-VIS, FTIR spectroscopies and magnetic susceptibility. The density functional theory (DFT) as molecular modeling calculations was used to determine the donor atoms of folic acid ligand which appear clearly at oxygen atoms binding to hydrogen. Detection of donation sights is supported by theoretical parameters such as geometry, mulliken population, mulliken charge and HOMO-LUMO gap obtained by DFT calculations.