Synthesis and Crystal Structure of a Dinuclear Compound Cu2[（O=PPh2）2N]2（μ-O2PPh2）2

1 INTRODUCTION Transition-metal complexes supported by poly-dentate phosphine ligands have been widely studieddue to the unique photophysical properties andpotential applications as industrial catalysts, mole-cular sensors and drugs[1~3]. As known, oxidation ofphosphine ligands could happen in the synthesisreaction to result in novel complex with unexpectedstructure[4, 5]. For example, the structure of complexFe((OPPh2)2N)3[6] is an octahedral tris-chelate arrange-ment of the oxidized a…     

Theoretical Study on the Mechanisms of Action of Sulfurand Nitrogen-containing Amino Acid Residues with Monofunctional Guanine Adduct Formed by Antitumor Drugs trans-[PtCl2（Am）（isopropylamine）] （Am = Isopropylamine,Dimethylamine and Propylamine） and Their cis Isomers

The mechanisms of action on monofunctional guanine adducts of analogues of transplatin with aliphatic amine ligands,such as trans-[Pt（Am）（isopropylamine）（G）（H2O）] where Am represents dimethylamine,propylamine or isopropylamine and their cis isomers reacting with sulfur- and nitrogen-containing amino acid residues,were explored. Histidine and lysine residues are chosen as the model ligands of nitrogen-containing amino acid residues of proteins; meanwhile,methionine and cysteine residues are chosen as the model ligands of sulfur-containing amino acid residues of proteins. A dominating preference for sulfur-containing ligand over nitrogen-containing ligand is established. The calculated smallest activation barrier for sulfur-containing ligand is 9.9,and 21.1 kcal/mol for nitrogen-containing ligand in aqueous solution,and both of them have trans configurations. The difference in activation energy is 11.2 kcal/mol,indicating the platination of sulfur-containing amino acid residues is faster by seven to eight orders of magnitude than that of nitrogen-containing amino acid residues.     

Crystal Structure of catena-[（Tetrakis-μ2-acetato-μ2-4,4＇-bipyridine） dicopper（Ⅱ）] Acetonitrile Solvate

1 INTRODUCTION Much attention has been paid to 1D, 2D and 3D coordination polymers because they can meet the need of functional materials with desired structures and properties[1～5]. One strategy in the design and synthesis of coordination architectures is the buil- ding-block approach. Commonly, bi- or multidentate organic ligands containing N[6, 7] or O[8, 9] atoms have ever been used in the construction. In our cur- rent work, we have selected melamine ligand as the main building bl…     

Synthesis and Crystal Structure of a New Chain Coordination Polymer [Cu（inio）2（H2O）]∞ （Inio = Isonicotinic Acid N-Oxide）

1 INTRODUCTION With deep studies on the complex biology system and syntheses of new functional complexes, people have paid more and more attention to the polynuclear complexes. In the construction of one to three dimensional frameworks, multi-dentate ligands are usually used to bridge the metal centers to form polymeric structures[1, 2]. The isonicotinic acid N-oxide can function as a good mono-dentate ligand[3～8] through one oxygen atom from the group of -NO or carboxyl, and the dep…     

Synthesis,Spectroscopic Properties and Crystal Structural Characterization of a Triphenyltin(IV) Complex with 5-Bromonicotinic Acid

1 INTRODUCTION Organotin esters of carboxylic acids are widely used as biocides, fungicides and homogeneous ca- talysts in industry[1～3]. Recently, pharmaceutical pro- perties of organotin esters of carboxylic acids have been investigated for their antitumour activity[4, 5]. Studies on organotin compounds containing car- boxylate ligands with additional donor atoms (e.g. N, O or S) that are available for coordination to the tin atom have revealed that new structural types may lead to di…     

Blue Luminescent Zinc(II)-and Cadmium(II)-1,4-phenylenediacetate Complexes

1 INTRODUCTION The crystal engineering and design of solid-state coordination polymers have become a very attrac- tive field in recent years[1～4]. Many interesting fra- meworks with intriguing potential applications have been obtained through the self-assembly of selected metal centers and carboxylate ligands[5, 6]. Compared with aromatic carboxylate ligands such as terephtha- lic acid[7, 8], benzene tricarboxylic acid[9, 10], benzene tetracarboxylic acid[11, 12] and so on, those ligands …     

Synthesis and Crystal Structure of the Copper Complex {[Cu（CH3COO）2（bbtz）]（H2O）2}n

1 INTRODUCTION The design and synthesis of metal-organic frame- work structures have been extensively studied due to their unexpected properties for potential applications as functional materials as well as the intriguing ar- chitectures and topologies[1～4]. When rigid bifunc- tional ligands are used to connect metal centers, to- pology of the network is usually determined by the coordination geometry of the central metal prefer- ence. Contrary to rigid ligands, the bifunctional fle- xib…     

Synthesis and Crystal Structure of a Nickel（Ⅱ） Complex [Ni（H2btc）2（hmta）2（H2O）] with 1,3,5-Benzenetricarboxylate and Hexamethylenetetramine

1 INTRODUCTION Organic-inorganic hybrid material has captured the imaginations of chemists due to its potential applications in electric conductivity, magnetism, ion exchange and catalysis[1～2]. Coordination polymers with special structures have been well prepared by the reaction of transition metal ions and special orga- nic ligands. As a kind of multi-dentate ligand, aro- matic polyoxybiontic anion can coordinate with metal ion to form chain, layer and network struc- tures[3～6]. 1,3,5…     

Synthesis and Crystal Structure of an Imino Nitroxide Complex [Cd（IM2py）2Cl2]

1 INTRODUCTION Nitroxide radicals including nitronyl nitroxide (NITR) and imino nitroxide (IMR) have been widely used as units in the synthesis of molecule-based magnetic materials, especially as ligands in their complexes with paramagnetic metals[1～11]…     

一维螺旋链状配位聚合物[Cu(p-BDOA)(2,2′-bipy)·H_2O]_n的合成与表征(英文)

0IntroductionIn recent years many interests have been focusedon the self-assembly of supramolecular architectures,especially on the coordination polymers with rigid or-ganic aromatic carboxylic acid ligands such as tereph-thalate and benzene tetracarboxyl…     

Synthesis and Structure of Iron Complex with 1,2—Dithiolate—1,2—dicarba—closo—dodecaborane [Li（THF）4][Fe（S2C2B10H10）2（THF）]

1 INTRODUCTION The complexes containing dithiolate ligands have played a well-established role in modern coordination chemistry[1]. There is continuous interest in complexes of chalcogenolate ligands with transition metals such as complexes of Pd[1], Mo[1], Au[2], Ir[3～6], Rh[4, 5], Co[7] and Re[1, 8] containing a chelating 1,2-dicarba-closo-dodecabarane-1,2-dich- alcogenolate ligand. Some of these complexes have become important in the study of new molecular materials[1, 9, 10]. Th…     

Synthesis and Structure of Bis（indene—1,2,3—trione 2—oximato）bis （aqua）Mn（Ⅱ）：Mn（C9H4NO3）2（H2O）2

1 INTRODUCTION The interest in the complexes of transition metals with ligands ketoxime[1, 2] as potential models for metal binding sites in ferroverdin[3, 4] has prompted the investigation on the structures and the overall coordination geometry of the metal centers in these complexes. Oxime derivatives are interesting ligands since the ketoximes are found to chelate transition metals through the N (oxime) and O (ketone) atoms[5, 6]. However, monodentate coordination via only one O or …     

Synthesis and Crystal Structure of Tetrakis（4—methylpyridine）bis（μ4—pentathio）—tetracopper（Ⅰ）（4—methylpyridine）solvate

1 INTRODUCTION An interesting aspect in the studies of copper-sulfur coordination chemistry is the apparent tendency of Cu(Ⅰ) ions to form various clusters with sulfur ligands. The coordination chemistry of Cu(Ⅰ) has been studied extensively owing to the importance of Cu(Ⅰ) in biological systems and copper-sulfur bonds detected in some metallopro- teins[1]. More recently, remarkably rich photoluminescence properties have been found in the tetranuclear complexes[2～5] and the cage-ty…     

Synthesis and Crystal Structure of 4-Nitro-2- [（2-diethylaminoethylimino）methyl]phenol

1 INTRODUCTION Schiff base ligands have played an important role in the development of coordination chemistry as they readily form stable complexes with most metal ions[1～4]. These complexes are very interesting in many fields, such as catalysis and enzymatic reac- tions[5, 6], magnetism and molecular architectures[7～9]. The complexes derived from the similar tridentate Schiff base ligand 2-[(2-dimethylaminoethylimino)- methyl]phenol[10, 11] and its derivatives[12～14] have been widely …     

Synthesis and Structure Characterization of N-Phenyl-（2S）-hydroxy-3-[（2-hydroxybenzylidene）amino]propionamide

1 INTRODUCTION Schiff bases can be conveniently prepared from the corresponding aldehyde and primary amine, which, as multidentate ligands, have already received great attention. Many metal complexes of this kind of ligands have been used successfully in various re- actions, such as Diels-Alder and hetero-Diels-Alder reactions[1], kinetic resolution of racemic epoxides[2], and Nozaki-Hiyama-Kishi (NHK) reaction[3]. Recen- tly Berkessel et al. have reported that the Cr- complex of sal…     

Molecular and Supramolecular Structures of a Nickel（Ⅱ） Complex with a Macrocyclic Ligand

1 INTRODUCTION The knowledge of all non-covalent interactions, such as strong and weak hydrogen bonds and p…p interactions, is important to the supramolecular chemistry, biochemistry, crystal engineering and material science[1～7]. Several mononuclear complexes of macrocyclic oxamido Schiff base ligands with phenyls have been used as 揷omplex ligands?to design polynuclear complexes[8～11]. Herein we report the molecular and crystal structures, CH贩稯 hy- drogen bonding and p…p stacki…     

Crystal Structure and Electronic Structure of a Luminescent Compound 2—（2—Pyridyl） Benzimidazole

1 INTRODUCTION Imidazole which is a part of histidine, plays an important role as a ligand in bioinorganic chemistry. Up to now, a variety of coordination compounds with imidazole ligands have been synthesized and characterized[1]. Its complexes have a…     

Synthesis and Crystal Structure of Lanthanide Schiff Base Complex [2-OC6H4CHN（2,6-i-Pr2C6H3）]2ErCl（THF）

1 INTRODUCTION The Schiff base ligands have been used to provide a stereochemically rigid ligand framework in homogenous precatalysts of some metals, such as salen Cr catalysts in asymmetric ring-opening re- action of epoxide[1] and salen Al in ring-opening polymerization of lactide and related cyclic esters[2]. Recently, it was reported that the bidentate Schiff base complexes of early and late transition metals can be served as promising alternatives to metal- locene catalysts for th…     

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 …     

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. …