title: Synthesis, characterization and properties of tetra((1-hydroxyimino-methylnaphthalen-2-yloxy)methyl)ethene and its homo-dinuclear metal complexes: a combined experimental and theoretical investigation.
abstract: Tetra((1-hydroxyiminomethylnaphthalen-2-yloxy)methyl)ethene (THIMNYOME), H(4)L, was synthesized by the agents of 2-hydroxy-1-naphtaldehyde, tetra(bromomethyl)ethene and hydroxylamine hydrochloride in two steps. Characterization of THIMNYOME and its dinuclear complexes was made by elemental analyses, IR, (1)H- and (13)C NMR, UV-vis, electrospray ionisation mass spectra, molar conductivities and magnetic susceptibility measurements. In the light of these results, it was suggested that the ligand coordinate to each metal atom by the two ether oxygen, two nitrogen atoms of oxime imine (CN) and an axial oxygen of perchlorate to form pseudo square-pyramidal complexes with Ni(II), Cu(II) and Zn(II). Molar conductivity measurements reveal that all the complexes are non-electrolytes. In addition, the full geometric optimization of the tetraoxime ligand (4) has been made by the B3LYP/6-31G(d) level in order to establish a stable conformation. Additionally, all the complex structures have been studied in the B3LYP/LANL2DZ level. NBO charge distribution and the characteristics of frontier molecular orbitals of these complexes have also been investigated in order to see the electrons movement between ligand and metal atom in the same level.
authors.affiliation: Rize University, Department of Chemistry, Rize, Turkey. kerimserbest@yahoo.com
authors.forename: Kerim
authors.initials: K
authors.lastname: Serbest
authors.forename: Kaan
authors.initials: K
authors.lastname: Karaoğlu
authors.forename: Murat
authors.initials: M
authors.lastname: Erman
authors.forename: Mustafa
authors.initials: M
authors.lastname: Er
authors.forename: Ismail
authors.initials: I
authors.lastname: Değirmencioğlu
mesh_terms: D000447:Aldehydes / Q000737:chemistry*; D056831:Coordination Complexes / Q000138:chemical synthesis / Q000737:chemistry*; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D009281:Naphthalenes / Q000737:chemistry*; D011522:Protons; D021241:Spectrometry, Mass, Electrospray Ionization; D013055:Spectrophotometry, Infrared; D013056:Spectrophotometry, Ultraviolet
chemical_list: D000447:Aldehydes; D056831:Coordination Complexes; D008024:Ligands; D009281:Naphthalenes; D011522:Protons; C554188:tetra((1-hydroxyiminomethylnaphthalen-2-yloxy)methyl)ethene