title: Synthesis, crystal structure and luminescent properties of some Zn(II) Schiff base complexes: experimental and computational study.
abstract: A series of Zn(II)-Schiff bases I, II and III complexes were synthesized by reaction of o-phenylenediamine with 3-methylsalicylaldehyde, 4-methylsalicylaldehyde and 5-methylsalicylaldehyde. These complexes were characterized using FT-IR, UV-Vis, Diffuse reflectance UV-Vis, elemental analysis and conductivity. Complex III was characterized by XRD single crystal, which crystallizes in the triclinic system, space group P-1, with lattice parameters a=9.5444(2) Å, b=11.9407(2) Å, c=21.1732(3) Å, V=2390.24(7) Å(3), D ( c )=1.408 Mg m(-3), Z=4, F(000)=1050, GOF=0.981, R1=0.0502, wR2=0.1205. Luminescence property of these complexes was investigated in DMF solution and in the solid state. Computational study of the electronic properties of complex III showed good agreement with the experimental data.
authors.affiliation: School of Chemical Sciences, Universiti Sains Malaysia, Minden, Penang, Malaysia.
authors.forename: Naser Eltaher
authors.initials: NE
authors.lastname: Eltayeb
authors.forename: Siang Guan
authors.initials: SG
authors.lastname: Teoh
authors.forename: Rohana
authors.initials: R
authors.lastname: Adnan
authors.forename: Jeannie Bee-Jan
authors.initials: JB
authors.lastname: Teh
authors.forename: Hoong-Kun
authors.initials: HK
authors.lastname: Fun
mesh_terms: D018360:Crystallography, X-Ray; D049449:Luminescence; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D011789:Quantum Theory; D012545:Schiff Bases / Q000737:chemistry*; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D015032:Zinc / Q000737:chemistry*
chemical_list: D009942:Organometallic Compounds; D012545:Schiff Bases; D015032:Zinc