title: Structural, molecular orbital and optical characterizations of binuclear mixed ligand copper (II) complex of phthalate with N,N,N',N'-tetramethylethylenediamine and its applications.
abstract: A new binuclear mixed ligand complex, [Cu2(Phth)(Me4en)2(H2O)2(NO3)2]·H2O (where, Phth=phthalate, and (Me4en)=N,N,N',N'tetramethylethylenediamine) was synthesized and characterized using analytical, spectral, magnetic, molar conductance, thermal gravimetric analysis (TGA), X-ray diffraction (XRD) and transmission electron microscope (TEM) measurements. The XRD data of Cu(II)-complex was analyzed on the basis of Williamson-Hall (W-H) and compared with TEM results. The results indicate that the complex is well crystalline and correspond to hexagonal crystal structure. Analysis of the absorption coefficient near the absorption edge reveals that the optical band gaps are indirect allowed transition with values of 1.17 and 1.78 eV. The d-d absorption bands of the complex (dissolved in various solvents) exhibit a color changes (solvatochromic). Specific and non-specific interactions of solvent molecules with the complex were investigated using Multiple Linear Regression Analysis (MLRA). Transient photocurrent characteristics of Cu(II)-complex/n-Si heterojunctions indicate that photocurrent under illumination increase with increasing of light intensity and explained by continuous distribution of traps. Structural parameters of the free ligands and their Cu(II)-complex were calculated on the basis of semi-empirical PM3 level and compared with the experimental data. The present copper (II) complex was screened for its antimicrobial activity against some Gram-positive and Gram-negative bacteria and fungus strain.
authors.affiliation: Chemistry Department, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt.
authors.forename: A
authors.initials: A
authors.lastname: Taha
authors.affiliation: Thin Film Laboratory, Physics Department, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt. Electronic address: alaafaragg@edu.asu.edu.eg.
authors.forename: A A M
authors.initials: AA
authors.lastname: Farag
authors.affiliation: Thin Film Laboratory, Physics Department, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt; Physics Department, Faculty of Science and Arts, Taibah University, Al-Ula, KSA.
authors.forename: A H
authors.initials: AH
authors.lastname: Ammar
authors.affiliation: Chemistry Department, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt.
authors.forename: H M
authors.initials: HM
authors.lastname: Ahmed
mesh_terms: D000890:Anti-Infective Agents / Q000737:chemistry; D003300:Copper / Q000737:chemistry*; D003460:Crystallization; D004553:Electric Conductivity; D005029:Ethylenediamines / Q000737:chemistry*; D006358:Hot Temperature; D008024:Ligands; D016014:Linear Models; D008826:Microbial Sensitivity Tests; D046529:Microscopy, Electron, Transmission; D055095:Optics and Photonics; D010777:Photochemistry; D012997:Solvents / Q000737:chemistry; D013055:Spectrophotometry, Infrared; D013818:Thermogravimetry; D014961:X-Ray Diffraction
chemical_list: D000890:Anti-Infective Agents; D005029:Ethylenediamines; D008024:Ligands; D012997:Solvents; C005798:N,N,N',N'-tetramethylethylenediamine; D003300:Copper
keywords: Binuclear; Mixed ligand complex; Molecular modeling; Oscillator strength; Solvatochromic