Synthesis and Characterization of Cu(I)-Folic Acid Complex A Theoretical and Experimental Study

Authors

Salah Aldin Jassim Humadi, Department of Chemistry, College of Science, University of Diyala, Iraq.Follow
Faliah Hassan Ali Al-Jeboori, Material research Directorate, Ministry of Science and Technology, Baghdad, Iraq
Kafa Khalaf Hammud, Material research Directorate, Ministry of Science and Technology, Baghdad, Iraq
Thaera A. Mussa, Material research Directorate, Ministry of Science and Technology, Baghdad, Iraq
Ahmed A. Alwan, Material research Directorate, Ministry of Science and Technology, Baghdad, Iraq

Abstract

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.

Keywords

Folic Acid, DFT, Copper, Complex, Computational Chemistry

Article Type

Supplemental Issue

How to Cite this Article

Humadi, Salah Aldin Jassim; Al-Jeboori, Faliah Hassan Ali; Hammud, Kafa Khalaf; Mussa, Thaera A.; and A. Alwan, Ahmed (2016) "Synthesis and Characterization of Cu(I)-Folic Acid Complex A Theoretical and Experimental Study," Baghdad Science Journal: Vol. 13: Iss. 2, Article 39.
DOI: https://doi.org/10.21123/bsj.2016.13.2.2NCC.0121