title: Syntheses, structures, photoluminescence, and theoretical studies of a novel class of d10 metal complexes of 1H-[1,10]phenanthrolin-2-one.
abstract: A novel asymmetric monosubstituted 1,10-phenanthroline, Hophen.0.5 H(2)O (1, Hophen=1H-[1,10]phenanthrolin-2-one), was generated by a facile route, and a novel class of crystalline, d(10)-metal, monomeric or oligomeric complexes of this ligand, namely [Hg(ophen)(2)].4 H(2)O.CH(2)Cl(2) (2), [Cd(3)Cl(ophen)(5)].1.5 H(2)O.2 CH(2)Cl(2) (3), and [Zn(4)O(ophen)(4)(OAc)(2)].4H(2)O.2 CH(2)Cl(2) (4), were obtained by means of liquid diffusion, and were characterized by X-ray crystallography and photoluminescence studies. Complex 1 exhibits a hydrogen-bonded dimeric structure, 2 is a neutral monomeric complex, 3 has a trinuclear structure with the ophen ligand acting as a bridge through the ketone groups, and 4 features a tetranuclear Zn(4)O core that is consolidated further by bridging ophen and acetate ligands. All the complexes display photoluminescent properties in the blue/green region. The photoluminescent mechanisms were investigated by means of molecular orbital calculations, which showed that the photoluminescent properties are ligand-based and can be tuned upon ligation to different metal ions.
authors.affiliation: School of Chemistry and Chemical Engineering Sun Yat-Sen University Guangzhou 510275 China.
authors.forename: Shao-Liang
authors.initials: SL
authors.lastname: Zheng
authors.forename: Jie-Peng
authors.initials: JP
authors.lastname: Zhang
authors.forename: Xiao-Ming
authors.initials: XM
authors.lastname: Chen
authors.forename: Zhen-Li
authors.initials: ZL
authors.lastname: Huang
authors.forename: Zhen-Yang
authors.initials: ZY
authors.lastname: Lin
authors.forename: Wing-Tak
authors.initials: WT
authors.lastname: Wong
mesh_terms: D019747:Aldose-Ketose Isomerases / Q000737:chemistry / Q000378:metabolism; D001665:Binding Sites; D002104:Cadmium / Q000737:chemistry; D018360:Crystallography, X-Ray / Q000379:methods; D008024:Ligands; D008163:Luminescent Measurements; D008628:Mercury / Q000737:chemistry; D019216:Metals, Heavy / Q000737:chemistry*; D008958:Models, Molecular; D008962:Models, Theoretical; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D010618:Phenanthrolines / Q000138:chemical synthesis* / Q000737:chemistry; D013329:Structure-Activity Relationship; D015032:Zinc / Q000737:chemistry
chemical_list: C480964:1H-(1,10)phenanthrolin-2-one; D008024:Ligands; D019216:Metals, Heavy; D009942:Organometallic Compounds; D010618:Phenanthrolines; D002104:Cadmium; D019747:Aldose-Ketose Isomerases; D008628:Mercury; D015032:Zinc