Synthesis and Characterization of [NH3（CH2）2NH2（CH2）2NH3]BiCl6

1 INTRODUCTION During the past decade, a series of organic-inor- ganic hybrid compounds based on metal halide units have been prepared and studied[1]. The combination of organic and inorganic components at the mole- cular level affords us the opportunity to design new hybrid materials and modulate the properties of components[2]. As a result, some interesting proper- ties, such as non-linear optical[3], interesting magne- tic[4], efficient luminescence[2], ideal thermal and mechanical sta…     

Photosynthesis and Molecular Structure of2—Amino—3H—phenoxazin—3—one

1 INTRODUCTION 2-Amino-3H-phenoxazin-3-one (APX) is related to the naturally occurring antineoplastic actinomycin D and has been used as a chemical model of actinomycin D[1]. Usually APX is synthesized from 2-aminophenol with the phenoxazinone synthase in human body[2]. A variety of artificial synthesis methods of APX via the oxidation of 2-aminophenol have also been reported, but each method needs some artificial condition such as chemical catalysis[3～7], natural enzyme[8], UV…     

Theoretical Study on Photoisomerization of 2-Methylfuran to 3-Methylfuran

1 INTRODUCTION 2-Methylfuran belongs to the basic heteroaromatic compounds relevant to many fields of modern che- mistry, ranging from the study of natural products and biologically active substances to the develop- ment of building blocks for organic synthesis and conducting polymers[1]. Since the photochemistry ofR-furan was gradually recognized in 1960s[2～7], lots of interest has been aroused. Herein we only study one branch of photoche- mistry of R-furan: the isomerization of 2-methy…     

Coordination Triangular Prism of Bisilver Complex with Triply—bridged of Bis（diphenylphosphino）amine

1 INTRODUCTION Recently coinage metal complexes of poly- dentate phosphines are of great interest owing to the applications in diverse areas such as supramolecular design, photophysics and catalysis[1～4]. It is well- known that the binuclear coinage metal complexes of diphosphine [M2(diphosphine)2(MeCN)2]2+ (M = Cu, Ag, Au)[5～16] are excellent precursors for the design of polynuclear or polymeric materials with desired properties due to the easy substitution of weakly coordinated ac…     

Synthesis and Structure of [Er4（μ3—OH）4（Hpro）4（Pro）2（H2O）7]（ClO4）6.7H2O

1 INTRODUCTION The design and synthesis of polynuclear com- plexes have attracted chemists?attention in the contemporary chemistry, since their clusters maybe lead to novel materials with magnetic, optical, electronic and catalytic properties of the constituent metals[1～3]. It is also prevalently interesting to synthesize high-nuclearity metal complexes for their nanoscopic dimensions[3, 4]. Spectroscopic properties of the lanthanides are widely used in the study of biological systems. …     

Effect of TiO2 Nanoparticles on Photochromism of WO3 Colloids

IntroductionWO3has received considerable attention becauseof its photochromic and electrochromic properties[1—10].Since the photochromic process of WO3can be com-pletely reversible by exposing it to oxygen,it has beenconsidered to be one of the most prom…     

Synthesis and Crystal Structure of a Heterotrinuclear Compound [PdCu_2(tdt)(μ-dppm)_2(MeCN)_4]-(ClO_4)_2·2/3H_2O (tdt = 3,4-Toluenedithiolate, dppm =Bis(diphenylphosphino)methane)

1 INTRODUCTION Great attention has been attracted to design novel heterometallic molecular materials with phosphorus- and sulfur-containing ligands, owing to their abundant optical and opto-electronic properties[1～4]. Self-assembly is an efficient ap- proach to obtain heterometallic assembly by the Incorporation of two different metal components[5, 6]. We are interested in investigating the reaction between Pd(diimine)(dithiolate) and metal dip- hosphine Cu2(μ-dppm)2(MeCN)42 , the fo…     

Synthesis and Crystal Structure of Zn（Ⅱ） Complex with 2-Aminopyridine and Acetylacetone

1 INTRODUCTION As one kind of compound with extensive phy- siological and pharmacology activities[1], 2-amino- pyridine is easy to form complexes, and some of which may catalyse hydrolysis of ester[2]. Acetyl- acetone is an useful intermediate in the synthesis of sulfanilamide, additive and catalyst[3]. Complexes containing acetylacetone take on excellent lumines- cent properties[4]. To be an active center of some sig- nificant enzymes[5, 6], zinc takes the form of its su- pramolecular co…     

Synthesis and Crystal Structure of Cadmium（Ⅱ） Complex [Cd（H2O）（CH3OC6H4COO）2]n

1 INTRODUCTION Cadmium (Ⅱ) complexes have been exten- sively studied from both chemical and structural views, mainly due to the capability of cadmium (Ⅱ) (shared by most d10 metal ions) to adopt different modes of coordination determined by the consideration of size, as well as electrostatic and covalent bonding forces[1]. And the field of coordination polymers has witnessed tremendous growth over the last decade[2]. Many coordination polymeric networks have been shown to posses intere…     

Synthesis and Structure of Ag(I)-Containing Coordination Polymers Based on Quaternary Ammonium Template Reagent

1 INTRODUCTION The influence of organic components on the mi- crostructures of inorganic solids has been extensively reported in recent years and shown to provide an efficacious method for the design of new materials[1～3]. Owing to their potential applications as new func- tional solid materials, interest in self-assembled co- ordination polymers with novel physical properties has grown rapidly[4～7], and many complexes like Bu4N[Ag3I4][8], {[(n-C4H9)4N]2Ag4.95Cu(I)1.05I8}n[9], [C6H…     

Synthesis and Crystallographic Characterization of Complex [(CH3)3NCH2CH2N(CH3)3][HgI4]·H2O Containing Novel Cation

The title compound has been synthesized by the reaction of HgI2 and [(CH3)3- NCH2CH2N(CH3)3]I2 with pH = 7.5 at room temperature, and its crystal structure was determined by single-crystal X-ray diffraction analysis. The title compound crystallizes in monoclinic system, space group P21/c with a = 8.3075(8), b =15.8084(19), c =15.390(2)(°A), β = 95.192(4)o, V = 2012.9(4)(°A)3, Z = 2, Dc = 2.824 g/cm3, F(000) = 1502, C14H39N4O2Hg2I8, Mr = 1711.87, μ(MoKα) = 13.768 mm-1, the final R = 0.0465 and wR = 0.1293 for 3046 observed reflections with I > 2(I). The title compound consists of cations ([C8H22N2]2+) and anion (HgI42-), which are combined by static attracting forces to form the so-called organic-inorganic hybrid material.     

Hydrothermal Synthesis and X-ray Characterization of Silver(I) Complex:Diacetylthiocarbamide Silver(I) Nitrate, [Ag(CH_3CONHC(S)NH_2)_2](NO_3)

1 INTRODUCTION As a thiolate ligand with potential S and N donors, thiourea is interesting due to its multifunctional coor-diation modes (unidentate-N, unidentate-S or biden- tate-N, S)[1]. As a good extracting agent for nobelme-tals[2], thiourea has…     

State-to-state reaction dynamics of CH3I photodissociation at 304 nm

The detailed reaction dynamics of CH(3)I photodissociation at 304 nm were studied by using high-resolution long time-delayed core-sampling photofragment translation spectroscopy. The vibrational state distributions of the photofragment, i.e., CH(3), are directly resolved due to the high kinetic resolution of this experiment for the first time. CH(3) radicals produced from I((3)Q(0+)), I((1)Q(1) <--( 3)Q(0+)), and I((3)Q(1)) channels are populated in different vibrational state distributions. The I((3)Q(0+)) and I((3)Q(1)) channels show only progressions in the nu2'(a2") umbrella bending mode, and the I((1)Q(1) <-- (3)Q(0+)) channel shows both progression in the nu2' umbrella bending mode and a small amount of excitation in the nu1'(a1') C-H stretching mode. The photodissociation processes from the vibrational hot band of CH(3)I (upsilon3 = 1, upsilon3 = 2) were also detected, primarily because of the absorption probability from the vibrational excited states, i.e., hot bands are relatively enhanced. Photofragments from the hot bands of CH(3)I show a cold vibrational distribution compared to that from the vibrational ground state of CH(3)I. The I* quantum yield and the curve crossing possibility were also studied for the ground vibrational state of CH(3)I. The potential energy at the curve crossing point was calculated to be 32 790 cm(-1) by using the one-dimensional Landau-Zener model.     

Synthesis and Crystal Structure of an Incomplete Cubane-type Mo3S4 Cluster with the N-N-O Type Tridentate Ligand:{Mo3S4[NH2CH2CH(O)CH2NH2]3}(DTP)·(H2O)2·(DMF)

A new cluster {Mo3S4[NH2CH2CH(O)CH2NH2]3}(DTP)·(H2O)2·(DMF) (DTP = diethyldithiophosphate) has been synthesized via ligand substitution reaction of Mo3S4(DTP)4(H2O) with an alkaline ligand 1,3-diamino-2-propanol(DAPROH) in a mixed organic solvent, and its crys- tal structure was determined with the following data: Mo3S6PC16H48O8N7, Mr = 977.76, triclinic, space group P, Z = 2, a = 10.319(2), b = 12.843(3), c = 15.335(3)(A), α = 65.26(3), β = 82.18(3), γ = 70.67(3)o, V = 1741.7(6) (A)3, Dc = 1.864 g/cm3, μ = 1.517 mm-1, F(000) = 988, the final R = 0.0794 and wR = 0.2111 for 6318 observed reflections (I>2σ(I)). The structure analysis indicates that all DTP ligands of Mo3S4(DTP)4(H2O) are replaced and each DAPRO molecule acts as a tri- dentate ligand chelating to each Mo atom of the Mo3S4 core. Different from the precursor, the clus- ter symmetry is elevated to C3. In addition, the UV-spectrum of the title compound was measured.     

Synthesis and Crystal Structure of a Novel Bimetallic Porphyrin Complex Salt {[MnTPP(CH3OH)2]3Fe(CN)6}·13H2O

A novel bimetallic porphyrin complex salt, {[MnTPP(CH3OH)2]3Fe(CN)6}·13H2O (TPP = tetraphenylporphyrin), has been synthesized and structurally characterized by X-ray diffraction analysis. The crystal is of trigonal, space group R-3 with a = b = 31.0618(10), c = 11.8366(8) (A), Z = 3, V = 9890.3(8) (A)3, C144H134FeMn3N18O19, Mr = 2641.36, Dc = 1.330 g/cm3, μ(MoΚα) = 0.463 mm-1, F(000) = 4131, R = 0.0525 and wR = 0.1382 for 3045 observed reflections (I ＞ 2((I)). The title complex is composed of one [Fe(CN)6]3- anion, three [MnTPP(CH3OH)2] cations and thirteen water molecules, which are connected by multiform hydrogen bonds leading to a 3D supramolecular network structure.     

〔C_5H_4C(CH_3)_2CH_2CH=CH_2〕Sm(OH)Cl·2MgCl_2·4THF的晶体结构分析

用Ｘ－射线晶体结构衍射法测定了〔Ｃ５Ｈ４Ｃ（ＣＨ３）２ＣＨ２ＣＨ＝ＣＨ２〕Ｓｍ（ＯＨ）Ｃｌ·２ＭｇＣｌ２·４ＴＨＦ的晶体结构。它属三斜晶系,空间群为Ｐ１,ａ＝１０．７７３（２）,ｂ＝１２．８３６（３）,ｃ＝１５．４７８（３）,α＝１１１．４６（３）,β＝１０７．７１（３）,γ＝９２．５４（３）°,Ｖ＝１８６８（１）３,Ｍｒ＝８２７．９１,Ｄｘ＝１．４７２ｇ／ｃｍ３,μ＝２．０００６ｍｍ－１,Ｆ（０００）＝８４０,Ｚ＝２,Ｒ＝０．０４１,ｗＲ＝０．０５０（Ｉ≥３σ（Ｉ））。分子中Ｓｍ原子的配位数为８,形成一个严重扭曲的八面体结构;２个Ｍｇ原子的配位情况相似,它们的配位数都是６,分别构成２个扭曲的八面体。这３个八面体通过３个共平面联接     

链状[NH3CH2CH2NH3]AgAsS4的溶剂热合成及表征

利用溶剂热方法合成了链状[NH3CH2CH2NH3]AgAsS4,通过单晶X射线衍射技术对其进行了晶体结构分析,该化合物晶体属单斜晶系,空间群C2/c,晶胞参数a=1.35805(8)nm,b=0.65331(3)nm,c=2.27711(9)nm,β=106.42(3)°,Z=8.化合物具有有趣的梯子状双链结构,该阴离子链由AsS4与AgS3共用顶点交替连接而成,有机阳离子在阴离子链之间存在较强的N—H…S氢键.DSC和Tg分析结果表明化合物在200℃以下是稳定的.     

Syntheses and Characterizations of （CH3CH2CH2CH2NH3）6（BiI6）（I）2I3 and （NH3CH2CH2NH3）2Bi2I10

The title compounds have been respectively synthesized by solution process and solvothermal reaction, and their crystal structures were determined by X-ray diffraction method. For （CH3CH2CH2CH2NH3）6（BiI6）（I）2I3 1, it crystallizes in tficlinic, space group P1^- with Mr = 2049.76, a = 8.5719（1）, b = 11.7461（3）, c = 15.700（1）A, V = 1451.4（1）A^3, Z = 1, Dc = 2.345 g/cm^3, F（000） = 924, μ（MoKα） = 8.907 mm^-1, T = 293（2） K, the final R = 0.0655 and wR = 0.0804 for 2399 observed reflections with I 〉 2σ（I）. For （NH3CH2CH2NH3）2Bi2I10 2, it crystallizes in monoclinic, space group P21/n with Mr= 1811.20, a = 8.434（4）, b = 13.862（6）, c = 13.362（6）A, V = 1499.9（12）A^3, Z = 2, Dc = 4.010 g/cm^3, F（000） = 1536,μ（MoKα） = 22.007 mm^-1, T = 293（2） K, the final R = 0.0584 and wR = 0.1451 for 1798 observed reflections with I 〉 2σ（I）. The structures of 1 and 2 contain halobismuthate monomer and dimers, respectively. It is noteworthy that the dimers and their organic counters in 2 connect each other by N…I hydrogen bonds to form a layered structure, and the electrostatic interactions and crystal packing forces between layers give rise to the packing of the crystal. The optical absorption spectra of 1 and 2 reveal the appearance of sharp optical gaps of 2.13 and 2.01 eV, respectively.     

含有十二元环交叉孔道的新颖亚磷酸铟[In4(HPO3)7(H2O)3](NH3CH2CH2NH3)·(H2O)的水热合成与表征

在含有HF的体系中, 用乙二胺作模板剂, 通过水热方法合成了一个新的三维亚磷酸铟[In4(HPO3)7(H2O)3](NH3CH2CH2NH3)·(H2O), 并对其进行了红外光谱、热重、ICP和CHN元素分析等表征. 单晶X射线衍射分析结果表明, 该化合物属于三方晶系, P3空间群, 晶胞参数a=1.37883(7) nm, c=0.93450(9) nm, V=1.53862(2) nm3, Z=2, Dc=2.489 Mg/m3, 最终一致性因子R1[I >2σ(I)]=0.0526, wR2[I>2σ(I)]=0.1328, GOF=1.082. 其结构中的InO6八面体、InO5(H2O)八面体和HPO3假四面体通过O原子共顶点连接, 分别沿a, b轴方向形成含有十二元环的交叉孔道, 客体水分子和双质子化的乙二胺分子存在于孔道中.