Crystal Structures of (Z)-1-Phenyl-1-phenylseleno- 2-(p-tolylsulfonyl)ethene and (Z)-1,3-Diphenyl-3- phenyl-seleno-2-(p-tolylsulfonyl)-2-propen-1-ol

1 INTRODUCTION The vinyl sulfones are versatile intermediates in organic chemistry and have been extensively stu- died[1]. The available methodology for vinyl sulfone synthesis mainly consists of Horner-Emmons reac- tions of carbonyl compounds with sulf…     

Synthesis and Crystal Structure of 2-(Diphenylphosphine oxide)-3-(diphenylphosphine oxide ethynyl) spiro [bicyclo[2.2.1]hepta-2,5-diene-7,1''''-cyclopropane]

1 INTRODUCTION Organic phosphine compounds always attract great interest for their unique properties and extensive uses in biochemistry, pesticide chemistry and synthetic organic chemistry. In the last two decades, much attention has been paid to phosphorus-containing olefin and acetylenic compounds for their applications in transition metal chemistry, asymmetric catalysis and photorearrang- ement [1~7 ]. Previously, we have reported the crystal structure of a novel host compound which …     

N-乙基-1，10-菲罗啉-2-甲胺镍(Ⅱ)配合物的合成、晶体结构及性质研究(英)

A novel ligand N-ethyl-1,10-phenanthroline-2-methanamine and its Ni(Ⅱ) complex have been synthesized. The crystal structure of the complex has been determined by X-ray diffraction method. The Ni(Ⅱ) is five-coordinated by three nitrogen atoms from the ligand and two Cl^- anions in a distorted trigonal bipyramidal environment: the N(2), Cl(1) and Cl(2) in equatorial plane; the N(1) and N(3) in axial positions. The UV-spectra and IR-spectra of the ligand and its Ni(Ⅱ) complex were recorded and discussed. The thermodynamic properties of the ligand with various bivalent metals were studied by potentiometric titrations and the order of the stability constants is in agreement with the Irving-Williams order in coordination chemistry. CCDC: 221750.     

Synthesis and Crystal Structure of a Novel Hetero-bimetallic Complex with a Three-dimensional Network Structure: Bis(malonato)tetra(aqua)calcum(II)cobalt(II)

1INTRODUCTION There has been considerable interest in the designand synthesis of transition metal complexes withcarboxylate ligands in coordination chemistry due tothe fact that this type of complexes has potentialapplications in molecule-based magnets,catalysis,supramolecular chemistry and biological systems[1～3].As an important flexibility dicarboxylate ligand,malonate dianion may act as momodentate,chelatedbidentate and tridentate bridging ligands to formvarious1D,2D and3D structures[…     

One-Dimensional Hydrogen-bonded Double Chain Composed of a Copper(II) Complex with Chelidamic Acid

1INTRODUCTION Chelidamic acid(2,6-dicarboxy-4-hydroxypyri-dine),an emblematical polydentate ligand,has been of great attraction due to its usage in many areas of science,such as coordinate chemistry,biochemis-try,organic chemistry,medical chemistry and even in HIV investigation[1].More and more metal com-plexes containing chelidamic acid ligands have been reported,which play a significant role in de-signing the molecules and extending chemistry of chelidamic acid[2].In our previous paper…     

Density Functional Studies on Isonicotinato Lead(II) Complex [Pb(C_5H_4NCOO)_2]

1 INTRODUCTION Recently, the chemistry of lead is of interest in relation to its toxicity and effects on intelligence in human populations[1~3]. The design of drugs to coun- teract the effects of lead poisoning requires estab- lishing the preferred ligands of Pb(II) and their ste- reochemistry. Consequently, synthesis of chelated- form antidotes for lead(II) ion toxicosis has attracted more and more attention, and numerous reports con- cerning experimental coordination chemistry of lead(…     

2008年计算化学的理论和应用国际会议

Since the first application of computers in chemistry in the early 1960＇s, computational chemistry has evolved today to be at the vanguard of the most adyances in chemistry, material science, physics, geology, biology and medicine. Its impact in chemistry can be noted from the fact that within four decades of existence, five of the top ten most highly cited publications in 125 years of JACS are related to computational chemistry. Apart from technical advances in computers and algorithms, the phenomenal impact of computational chemistry is due to the dedicated and sustained efforts of many individuals. In this regard, we felt that it would be befitting to organize a symposium Theory and Applications of Computational Chemistry （TACC） in 2008 gathering a large number of the world＇s leading experts in computational chemistry. This event follows the previous successful 2004 TACC conference in Korea. A significant number （about 50） of leading scientists, such as Martin Karplus and Rudolph A. Marous, have been invited to give preliminary talks. There will also be many parallel sessions and poster presentations to allow conference participants to present their research works.     

EPR AND ELECTRONIC STRUCTURE OF Mo(V) COMPLEX Mo_2O_3(S_2CNEt_2)_4

<正> INTRODUCTION. Particular interest of some chemists has directed to the chemistry of molybdenum, as the oxidation states of molybdenum (-2～+6) are interesting and Mo atom in various forms usually is contained in the active site of enzymes or catalysts.     

Hydrothermal Synthesis and Crystal Structure of a Bivanadyl Capped Keggin Polyoxomet alate[Zn(2,2''''-bpy)_2(H_2O)]_2[HPMo_(12)O_(40)(VO)_2]

1 INTRODUCTION The design and synthesis of organic-inorganic hy-brid compounds are of great interest owing to theirextensive theoretical and practical applications in ca-talysis, medicine, analytical chemistry, nanotechno-logy, electrochromism, magnetism and photochemis-try[1～5]. In heteropolyoxometalate chemistry, a newadvance is the decoration of polyoxoanions with va-rious organic and transition metal complex moieties.In contrast to a large number of known organic andtransition-metal-s…     

Synthesis and Extended 3D Hydrogen-bonded Structure of Complex Tris(violurato-N,O) Cobalt(III) Hexahydrate

1 INTRODUCTION The study of cobalt complexes plays an important role in pharmacology, coordination chemistry and bio- inorganic chemistry. The recent work on organoco- baloximes shows that it has outgrown its initial rele- vance of Vitamin B12 model and acquired an indepen- dent research field because of its rich chemistry[1~4]. At the same time, research on the complexes with oxime ligands has considerable interest owning to their special catalytic, electric, magnetic properties and bio…     

SCIENCE IN CHINA(SCIENTIA SINICA)

Science in China (monthly) is a comprehensive academic journal of natural sciences sponsored by the Chinese Acade-my of Sciences. The primary purpose is to provide regular, rapid and authoritative reviews of current important devel-opments in scientific research in China for scientific wokers in both China and other countries. The contents are se-lected by an extensive editorial committee which is composed of the most highly-esteemed scientists in China today.This journal is divided into two series, Series A (monthly) and Series B (monthly). Series A carries academic paperson the latest achievements in pure and applied sciences in mathematics, physics, astronomy and technological sciences;Series B includes those in chemistry life sciences and earth sciences.     

Synthesis and Crystal Structure of Bis(cyclopentadienyl) Ytterbium Complex Supported by β-Diketiminate

1 INTRODUCTION Recent efforts in the design and synthesis of new ligand systems for lanthanide chemistry have been aimed at extending organolanthanide chemistry in the application of nitrogen-containing bidentate an- cillary ligands, such as β-diketiminates, guanidinates and amidinates, etc. A major impetus for such studi- es can be traced to the well known applications of lanthanide complexes in homogeneous catalysis[1, 2]. Recently, we have been interested in understanding the chemist…     

SCIENCE IN CHINA (SCIENTIA SINICA)

Science in China (monthly) is a comprehensive academic journal of natural sciences sponsored by the Chinese Academy of Sciences. The primary purpose is to provide regular, rapid and authoritative reviews of current important developments in scientific research in China for scientific workers in both China and other countries. The contents are selected by an extensive editorial committee which is composed of the most highly-esteemed scientists in China today. This journal is divided into two series. Series A (monthly)and Series B (monthly). Series A carries academic papers on the latest achievements in pure and applied sciences in mathematics, physics, astronomy and technological sciences; Series B includes those in chemistry, life sciences and earth sciences.     

Syntheses and Crystal Structures of [Na(H_2O)](C_(17)H_(13)O_6SO_3)·2H_2O and [Ni(H_2O)_6](C_(17)H_(13)O_6SO_3)_2·4H_2O

Introduction Flavonoids exist widely in edible plants, and have pharmacological activity. They played a major role in the successful medical treatments at ancient times, and their uses have been persevered up to now.1-3 Flavonoid sulfates were found in a large number of plant species. They occupy an important position in the field of natu-ral products chemistry since they provide structures consisted of organic and inorganic components. The pharmacological assay revealed that flavonoid sulfat…     

Synthesis and Crystal Structure of a Novel Complex [Cu(Phen)_3](ClO_4)_2(btio)(H_2O)

1 INTRODUCTION There has been increasing interest of Cu(II) and phenanthroline complexes in the field of coor- dination chemistry[1～4]. At the same time, nitronyl nitroxide radicals have played a prominent role in the design and construction of molecula…     

Synthesis, Crystal Structure and Kinetic Mechanism of Thermal Decomposition of a Zinc(II) Complex with N-Salicylidene-p-toluidine

1 INTRODUCTION Over the past decades, considerable attention has been devoted to the synthesis, characterization and property studies of Schiff bases and their com- plexes because of their potential and developed appli- cations in the fields of conducting and magnetic ma- terials, dyes, non-linear optics, catalysis, analytical chemistry, biochemical research, agriculture and so on[1～7]. A large number of reports are available in the chemistry and biologic activities of transition metal co…     

A Density Functional Theory Study on the Adsorption of CN on Ni(111) Surface

1 INTRODUCTION Cyanide, CN, is an important free-radical mole-cule of one carbon chemistry, organic chemistry, free-radical chemistry and cosmochemistry. And the im-portant industrial processes, such as the Andrussovreaction, depend on the reactivity of CN bond[1]. Thechemistry of cyanide is also important in the surfacechemistry of a number of C- and N-containing sys-tems[1, . During the past decade, the adsorption of 2]CN and CN-containing molecules on transition metalsurfa…     

CRYSTAL STRUCTURE OF AMMONIUM 18-CROWN-6 DITHIOCYANATO-TETRACHLORO-DIPALLADIUM(Ⅱ)

<正> INTRODUCTION. Crown compounds have formed a rapidly expanding field of chemistry and found application in many areas. Authors have studied the coordination chemistry of a series of crown compounds, such as 18-C-6, DB-18-C-6, DB-30-C-10, 15-C-5 and B-15-C-5 in thiocyanate systems with M and M' cations (M=Na~+, K~+, NH_4~+, Ca~(2+), Sr~(2+), Ba~(2+); M=Ni~(2+), Co~(2+), Zn~(2+), Ag~+, Mg~(2+)[1,2] This paper reports the IR characteristic and crystal structure of the complex of 18-C-6 with ammonium thiocyanate and palladium chloride.     

Synthesis and Crystal Structure of an Infinite 1D Zigzag Chain Compound (dimbH~+)(ClO_4~-) and Its Comparison with (dimb)2H_2O (dimb = 1,3-Di(imidazol-1-ylmethyl)-5-methylbenzene)

1 INTRODUCTION Recently the rational design and preparation of novel functional materials are one of the highlights in supramolecular chemistry and crystal engi- neering[1]. How to control the molecular structures and topology in the process of self-assembly has attracted extensively attention[2]. To date, a lot of complexes containing well-designed bidentate[3～6], tripodal[7, 8] and hexadentate[9] imidazole moiety ligands have been synthesized by chemists. Some of them have interestin…     

六钨酸盐为模板的三维网状超分子化合物[La2(DNBA)4(DMF)8][W6O19]的合成和晶体结构

0 Introduction polyoxometalates (POMs), in addition to their im- portance in catalysis, biochemical separation and medicinal chemistry, play an important role for the design of new materials with novel electronic, magnet- ic and topological properties[1￣…