Synthesis and Crystal Structure of a Novel 1D Chain-like Organic Inorganic Hybrid Rare Earth Derivative of Polyoxometalate: H_(0.5)[Sm(H_2O)_6]_(0.25)[Sm(H_2O)_5]_(0.25){[Sm(H_2O)_7][Sm(H_2O)_2-(DMSO)][SiW_(11)O_(39)]}·4.5H_2O

Polyoxometalates may be versatile inorganic building blocks for the construction of molecular-based materials. By means of their multiple coordination requirements and oxophilicity, lanthanide cations are suitable to link polyoxometalate building blocks to form new classes of materials with potentially useful magnetic and luminescent properties1-4. Peacock and Weakley studied the interactions between the [α-SiW11 O39]8? isomer and lanthanide cations5, and they reported that the [α-SiW11O39…     

Crystal Structure and Interaction with DNA of [Ni(phen)(mal)(H_2O)_2]·3H_2O

1 INTRODUCTION In the last few years, much attention has been paid to the molecular structure and biological activity of coordinated complexes in inorganic chemistry field. Ni(Ⅱ) is one of the commonest transition metals with two coordination numbers (4 and 6)[1～3]. Ge- nerally speaking, Ni(Ⅱ) coordination mode depends on the structure of ligand, solvent and reaction con- ditions, among which ligand plays a decisive role and determines not only the molecular structure of the complex bu…     

Hydrothermal Synthesis and Structure of a Novel Coordination Polymer Co_3(tma)(pda)_2(H_2O)_3]n·nH_2O

1INTRODUCTION Recently,the design and preparation of coordina-tion polymers with new porous frameworks are of great interest due to their potential functionalities such as catalysis,gas absorption,separation and molecu-lar recognition.In designing1-D,2-D and3-D porous coordination polymers,the selection of appropriate ligands is crucial for determining the structure.The mixed-linker systems of both carboxylates and pyri-dyls have proved to be effective for the preparation of novel coordi…     

Synthesis and Crystal Structure of [Zn(HPDB)_2(H_2O)_2]n·2nDMSO·2nH_2O (H_2-PDB = Pyridine-3,4-dicarboxylic Acid)

1 INTRODUCTION Metal-organic coordination polymers are currently of considerable interest and importance because they can be used as new functional materials applicable in adsorption, luminescent and NLO materials fields[1, 2]. Due to the manifold N- and O-donors of pyridine- (bi)carboxylic ligands, metal pyridine-(bi)carboxyla- tes can construct versatile structural motifs, which finally aggregate to generate various supramolecular architectures with interesting properties[3, 4]. The d…     

Synthesis and Crystal Structure of {Cu_2(pdc)_2(4,4''''-bipy)(H_2O)·3H_2O}_2

1 INTRODUCTION The increasing interest in inorganic-organic hybrid framework assemblies has resulted in a great number of research efforts focused on the develop- ment of new functional materials possessing various potential applications on catalysis, electrical conduc- tivity and magnetism[1～4]. In recent years, the inter- action of H2pdc with several metal ions has been extensively studied[5, 6] due to its unique ability to form stable chelates in diverse coordination modes such as bid…     

Theoretical Investigations on the Structures and Properties of the Side-on Complexes B_2(N_2)_2 and Monocyclic B_n(N_2)_n~m (n=3～6,m=-1～+2)

The structures and energies of the side-on complexes B2(N2)2 and monocyclic Bn(N2)nm (n = 3～6,m = -1～+2) between N2 (1∑+g) and B (2P) have been investigated by the DFT-B3LYP and MP2 methods at the 6-311+G(2d) and aug-cc-pVTZ levels. The analyses of NICS (Nucleus Independent Chemical Shifts),NBO (nature bond orbital),AIM (atoms in molecules) and frontal orbitals have been used to reveal the origin of coordination bond between the π-electron donor N2 group and B atom,accompanied by the comparison with the end-on complexes. The results have indicated that the side-on coordination complexes can be formed due to the relative strong fluidity of the π-electrons,and the nature of the coordination bond has been exposed to be that the N2 group offers 1πu electron to the 2p orbital of boron. The coordinate energies of the side-on complexes are less than those of the end-on complexes. Furthermore,the aromaticity of side-on coordination complex is weaker than that of the corresponding end-on coordination complex.     

Crystal Structure of a Novel Complex Na_4[Y(PDC)_2(BTC)]·5H_2O with One-Dimensional Helical Network Structure (H2PDC = 2,6-Pyridinedicarboxylic acid)( H_3BTC = 1,3,5-Benzenetricarboxylic acid )

1 INTRODUCTION The assembly of coordination networks is a field of increasing interest[1~4]. Research along this line is induced by the idea that coordination networks have potential technological applications such as optoele- ctronic devices and microporous materials for shape and size separation and catalysis[5~7]. In this paper, there has been current interest in using polycarboxy- late as anion linking groups to support stable poly- meric coordination open frameworks with transition m…     

Synthesis and Crystal Structure of [Ni(C_5H_2N_2O_4)(2,2''''bipy)(H_2O)_2]·H_2O

1 INTRODUCTION Orotic acid (H3dtpc), an important pyrimidine derivative as the effective precursor in the biosynthesis of pyrimidine base of nucleic acids in living organisms, plays a unique role in bioinorganic and pharmaceutical. Aside from the biological interest, orotic acid is also interesting in coordination chemistry. Its ketonic and enolic tautomers along with asymmetric geometry make it to be a very good versatile polydentate ligand[1~5]. The incorporation of metals into supram…     

Synthesis and Crystal Structure of a [Cu(HTren)Cl_2]ClO_4·H_2O Complex (Tren = Tris(2-aminoethyl)amine)

1INTRODUCTION Investigation of the coordination chemistry of copper(II)continues to be stimulated by interest in developing modes for copper proteins and in under-standing the factors which give rise to the seemingly infinite variety of distortions from regular stereo-chemistry observed in Cu(II)complexes[1,2].For more than decades,due to the unique coordination polyhedra and their easy preparation,tripodal copper complexes have attracted much attention in addition to their special chemi…     

Synthesis and Structural Characterization of Mononuclear Mn~(II) Picolilato Complex Mn(2-C_5H_4NCOO)_2(H_2O)_2.1/2CH_3CN

1 INTRODUCTION Manganese has been implicated as an essential part of the active center in various manganese enzymes. Various nuclearities have been observed from mononuclear atom in superoxide dismutase [1] to the tetranuclear atom of oxygen evolution in photosystem II[2]. The manganese active centers in biological systems are surrounded by O and N coordination sphere[3, 4]. Synthetic efforts have produced a great variety of Mn clusters with varying nuclearity and oxidation states. Si…     

Synthesis and Structural Characterization of a Novel 2D Supramolecular Complex {[Dy_2Zn(dinic)_4(H_2O)_8]·H_2O}n (H_2dinic = 2,5-Pyridinedicaboxylic Acid)

1INTRODUCTION Studies on the syntheses,structures,and proper-ties of lanthanide-transition metal complexes are currently of great interest not only due to their beha-viors as good models to investigate the nature of magnetic exchange interactions between3d and4f metal ions in magnetic materials but also to the fascinating coordination properties of Ln(III)[1～6].Although some infinite lanthanide(III)-transition metal compounds have been obtained by the con-ventional self-assembly reacti…     

Syntheses and Crystal Structures of Two Cyano-bridged Bimetallic Complexes [Ce(DMSO)_4(H_2O)_3Fe(CN)_6]·H_2O and [La(DMSO)_4(H_2O)_3Co(CN)_6]·H_2O(DMSO = Dimethylsulfoxide)

1INTRODUCTION Recently,cyano-bridged lanthanide-transition me-tal complexes have been extensively investigateddue to their potential applications as precursors in the preparation of rare earth orthoferrites,fluores-cent and magnetic materials[1].Various complexes of this system have been obtained in order to ex-plore the relations between structures and pro-perties by using different ligands,such as DMF,4,4?-bipy,and so on,to fill the coordination sites of lanthanide ions[2～9].But up to…     

Synthesis and Crystal Structure of [Cis-1,10phenanthroline-palladium(Ⅱ)(THF)_2]dinitrate (THF = Tetrahydrofuran)

1 INTRODUCTION The coordination chemistry of Pd(Ⅱ) com- plexes with didentate nitrogen coordination ligands has been extensively studied for a few decades[1]. Pd(Ⅱ) trends to bond to the didentate nitrogen in cis-mode and such complexes have potential usage in the emerging area of self-assembly[2]. We will report herein the synthesis and crystal structure of a cis-coordinated mononuclear Pd(Ⅱ) complex with one 1,10-phenanthroline and two THF as ligands, 1. 2 EXPERIMENTAL 2. …     

Synthesis,Crystal Structure and Thermal Stability Properties of a Binuclear Copper(Ⅱ) Coordination Polymer {[Cu_2(4,4'-bipy)_2(o-ABA)_4(H_2O)_2][(H_2O)_2]}_n

One-dimensional chain copper(Ⅱ) coordination polymer has been synthesized and characterized in the solvent mixture of water and alcohol with o-acetamidobenzoic acid,4,4'-bipyridine and copper perchlorate.It is of tetragonal,space group P41212 with a=1.57756(10),b= 1.57756(10),c=2.1438(3)nm,V=5.3352(8) nm3,Dc=1.524 g/cm3,Z=4,F(000)=2536,R= 0.0479 and wR=0.0979.The crystal structure shows two coordination modes.The copper(1) is coordinated with two nitrogen atoms of one 4,4'-bipyridine molecule and two oxygen atoms from two o-acetamidobenzoic acid molecules,forming a distorted tetrahedral coordination geometry;the copper(2) is coordinated with two nitrogen atoms of one 4,4'-bipyridine molecule,four oxygen atoms from two o-acetamidobenzoic acid molecules and two water molecules,generating a distorted octahedral coordination geometry.The result of TG analysis shows that the title complex is stable below 180.0 ℃.     

Synthesis and Crystal Structure of {[Mn(H_2O)_4(3,3''''-?azpy)](3, 3''''-azpy)_3(PF_6)_2}_n

1 INTRODUCTION During the past few years, many one-, two- and three-dimensional coordination polymers have been generated from transition metal templates with rigid and flexible pyridyl-containing bidentate or multidentate spacers[1, 2]. Although in the past few years, increasing interest has been given to the coordination polymer of 4, 4?azobispyridine[3, 4] and some 3, 3?azobispyridine complexes[5, 6] were repor- ted three decades ago, no crystal structure of 3, 3?azpy complex has been…     

Synthesis and Structural Characterization of a Ni(Ⅱ) Complex [Ni(H_2O)_4(4,4'-bipy)_2](hca)_2

1 INTRODUCTION The rational design and synthesis of new metal- organic frameworks have generated considerable interest in supramolecular chemistry and materials science owing to their intriguing structural diver- sities and potential applications as functional mate- rials[1～6]. Carboxylate-containing ligands have attrac- ted considerable attention because of the various coordination modes of carboxylate group, the ability to form hydrogen bonds and the potential applica- tions as functio…     

Synthesis and Structural Characterization of Co(Ⅱ) Coordination Polymer [Co(-phth)(imi_)2]_n

1 INTRODUCTION The polymeric metal complexes with extended structures are of great interest because of their useful chemical or physical properties[1]. Due to the noticeable fact that the aromatic polycarboxylate can provide versatile coordination mode and the non-coplanar structure of the carboxylate groups and the benzene rings, a lot of efforts in this field have been particularly directed to the preparation of aromatic polycarboxylate (such as phthalate, tere- phthalate and isophthal…     

Synthesis and Structure of a New Copper(II) Complex Cu(C_(13)H_9N_3O_2Br)_2.H_2O

1 INTRODUCTION Owing to their biological activities and chemical/industrial versalities, considerable attention has been continually attracted to metal-hydrazine complexes. For instance, Schiff base hydrazine and its analogues have been well studied in order to better understand the action mechanism of Vitamin B6-containing enzymes[1~3]. Six-coordinated copper(Ⅱ) complexes are of considerable interest, mainly due to their coordination geometry and spectroscopic properties[4]. Due to th…     

Synthesis and Structural Characterization of {[Mn(phen)_2(OAc)(H_2O)]ClO_4}_2H_2O

1 INTRODUCTION Chemistry of manganese cluster has become an attractive research field because of the involvement of manganese in several biological redox-active sys- tems[1,2], especially in the oxygen-evolving complex (OEC) of photosystem Ⅱ (PSⅡ) in green plants[3]. It was thought that the coordination environment of Mn in OEC contains O and N donors, and the bind- ing of aqua to the Mn site may be important to the oxidation of aqua for the evolution of dioxygen[4, 5]. In recent …     

Synthesis and Crystal Structure of the Organotin Complex [(o-Cl-PhCH_2)_3SnOCOC_(10)H_8N]·0.5C_6H_6

1 INTRODUCTION There is increasing interest in the study of orga-notin carboxylic ester compounds due to their insec-ticidal, fungicidal and antibiotic activities[1, as well 2]as structure diversity. In recent years many organo-tin carboxylic ester compounds with good biologi-cal activity have been synthesized[3, . Previous stu- 4]dies show that the coordination geometry of centralatom Sn …