Solid state reactions of nitrogenous heterocyclic compounds(Ⅰ)——Solid state reactions of 3-methyl-l-phenyl-5-pyrazolone with carbonyl compounds

The solid state reaction of 3-methyl-1-phenyl-5-pyrazolone (MPP) with aromatic aldehydes and ke-tones benzil derivatives and imides,and the solid state Michael addition reaction of MPP with 4-arylidene-3-methyl-1-phenyl-5-pyrnzolone 2 were investigated.Some new solid state reactions between the reactants were found,from which a series of new compounds were obtained The structures of the products were identified by IR,1H NMR,MS,elemental analyses and also by X-ray crystal analysis,and the reaction mechanism of MPP with aromatic aldehydes and ketones was proposed     

Waugh-型镍钼杂多酸的量子化学计算

采用半经验INDO法，完成了Waugh-型镍钼杂多酸（NH44）6〔NIMO9O32〕·6H2O的量子化学计算，得到146个成键轨道和78个反键轨道，轨道能级，电荷和键序等数据。通过对这些数据的分析，表明杂多酸分子中端氧和Ni都可能为化学活性中心，各原子轨道在分子轨道中都占有一定比例，其HOMO和LUMO能级皆为负值，其体系具有进一步接受电子的能力。这些结论与实验事实一致。     

Design and Synthesis of 1-Benzyl-3-(a-hydroxy-(un)substituted benzylidene)pyrrolidine-2,4-diones as Potential Herbicides

The inhibitors of 4-hydroxyphenylpyruvate dioxygenase (HPPD, EC 1.13.11.27) are an new kind of herbicides.[1]Generally, in structure, potent herbicides of this kind must possess: (1) a tricarbonyl methane structure and one of the three carbonyl groups must be a subustituted benzoyl group; (2) the compound must be able to enolise so that the enolate is capable of inhibiting HPPD enzyme by competitive combination with Fe2+, the reaction center of HPPD enzyme.[2]Recently, we noticed that the 3-acyltetramic acids form an expanding group of antibiotics and pigments from micro-organisms,[3] they display a range of biological activities[4] and all of this kind compounds possess all of the characters mentioned above. Tests of their antimicrobial activities indicated that the structure of the acyl substituent at the 3-position was important to many typical antibiotics.[4～6] These characters stimulated us to study this kind of compounds so as to discover new herbicides. In this report, we synthesized a series of compounds 3 and tested their herbicidal activities to investigate their structure-activity relationships.     

An Efficient Method for the Synthesis of Acyl-diazenes Using NaNO_2/NaHSO_4·H_2O

Azo compounds are widely utilized as analytic reagents and dyes1, they can also be used in material of non-linear optics, material of optics information storing in laser disks, and dyes with oil solubility in photochromy in modern technology2. Recently, many noteworthy studies have shown that some azo compounds possess excellent optical memory and photoelectric properties3,4. For example, polymer scaffolds bearing azobenzene-potential are useful for optical information storage, azo-dye doped…     

Modified Wave Particle Duality and Black Hole Physics

de Broglie relation is revisited, in consideration of a generalization of canonical commuting relation. The possible effects on particle's localization and black hole physics are also discussed, in a heuristic manner.     

Syntheses,Structures and Photocatalytic Degradation Properties of Two Copper(Ⅱ)Coordination Polymers with Flexible Bis(imidazole)Ligand

Two copper(Ⅱ)coordination polymers{[Cu(bib)(nip)]·1.5H2O}n(1)and[Cu2(bib)(glu)2]n(2)(bib= 1,4-bis(2-methyl-imidazol-1-yl)butane,H2nip = 5-nitroisophthalic acid,...     

流动注射停流-催化光度法测定环境水样中痕量Mn(Ⅱ)的研究

在碱性介质中,Mn(Ⅱ)对催化KIO4氧化镁试剂Ⅰ(对硝基苯偶氮间苯二酚)的褪色反应有显著作用。据此建立了测定痕量Mn(Ⅱ)的流动注射停流-催化光度法。优化了流动注射条件,Mn(Ⅱ)在2~10μg/L,10~160μg/L,160~1000μg/L范围内符合比尔定律,采样频率6样/h,检出限0.12μg/L,相对标准偏差(RSD)4.9%(n=6)。用于环境水样中Mn(Ⅱ)的检测,回收率为95.5%~102%。     

Multiple Jacobi Elliptic Function Solutions to Integrable Higher Order Broer-Kaup Equation in (2+1)-Dimensional Spaces

In this paper, we improve the method for deriving Jacobi elliptic function solutions of nonlinear evolution equations given in Ref. [12] and apply it to the integrable higher-order Broer-Kaup system in (2 1)-dimensional spaces.Some new elliptic function solutions are obtained.     

Secure Direct Communication Using Ensembles with the Same Compressed Density Matrix

In this paper, a quantum secure direct communication protocol using ensembles with the same density matrix is proposed. The two communication parties can realize the message transmission using this method through a quantum channel, each bit of information can be transmitted using an ensemble and read out through global measurement.The eavesdropping behavior can be detected through the channel diagnoses.     

Synthesis,Structure and Theoretical Calculation of Metal Coordination Polymers with Pyrazine-2,3-dicarboxylic Acid and 3-(2-Pyridyl)pyrazole as Co-ligands

A new 2D metal coordination polymer(MCP),[Mn(pzdc)_(0.5)(L)]_n(1,pzdc=pyrazine-2,3-dicarboxylic acid,HL=3-(2-pyridyl)pyrazole),was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction,powder XRD,FT-IR,TG,fluorescence and elemental analysis techniques.Pale yellow crystals crystallize in orthorhombic system,space group Fdd2 with a=11.2368(6),b=38.280(2),c=10.5682(6) A,V=4545.9(4) A~3,C_(11)H_7MnN_4O_2,M_r=282.15,D_c=1.649 g/cm~3,μ(MoKα)=1.159 mm~(-1),F(000)=2272,Z=16,the final R=0.0613 and wR=0.1773 for 2856 observed reflections(I 2σ(I)).It shows a two-dimensional network structure and is further assembled into a three-dimensional supramolecular framework via hydrogen bonds and abundant π-π interactions.In addition,we analyzed natural bond orbital(NBO) of 1 in using the PBE0/LANL2DZ method established in Gaussian 03 Program.There is obvious covalent interaction between the coordinated atoms and Mn(Ⅱ) ions.