title: Synthesis, molecular orbital, optical and device characterization of mononuclear mixed ligand nickel(II) complex of phthalate with N,N,N',N'-tetramethylethylenediamine for photodiode applications.
abstract: In this work, a new synthesized mononuclear mixed ligand nickel(II) complex was characterized by various techniques. Crystalline characteristics of [Ni(Phth)(Me4en)(H2O)2]·4H2O were studied by using transmission electron microscope(TEM). Well crystalline structure corresponds to the hexagonal crystal system and identified by selected area electron diffraction (SAED) were achieved. Coordination of the nickel(II) ion with the functional groups of the ligands was established from the IR spectrum. Molar conductance of the current complex in DMF (10(-3)mol/L) indicated a non-electrolytic nature of the complex. Electronic spectra showed a strong band in the region 661-684nm; MeCN (661nm), CHCl3 (663nm), MeOH (667nm), Me2CO (675nm), DMSO (682nm) and DMF (684nm) which can be assigned to (3)A2g(F)→(3)T1g(F) transition of an octahedral structure around nickel(II). Multiple peaks were easily resolved from the spectral dependence of the absorption coefficient (α) measurements and the analysis near the fundamental absorption edge showed two direct allowed transition with energy gaps of 1.18 and 2.53eV. Dark current-voltage and capacitance-voltage characteristics of [Ni(Phth)(Me4en)(H2O)2]·4H2O/n-Si heterojunctions were studied to extract the main important parameters of the heterojunction device. The electrical characteristics of the heterojunction device under illumination hold the suitability of the device for optoelectronic applications.
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; Physics Department, Faculty of Science and Arts, Al Jouf University, Saudi Arabia. Electronic address: alaafaragg@gmail.com.
authors.forename: A A M
authors.initials: AA
authors.lastname: Farag
authors.affiliation: Chemistry Department, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt.
authors.forename: Magdy
authors.initials: M
authors.lastname: Shebl
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, Saudi Arabia.
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
keywords: Molecular modeling; Nickel(II)phthalate complex; Optical absorption; Optoelectronic devices