bluuebunny/crossref_metadata_2025 huggingface dataset:
Homo‐ and Copolymerization of ε‐Caprolactone and 2,2‐Dimethyltrimethylene Carbonate by Rare Earth Initiators
Authors: Shen Zhi‐Quan , Zhu Gui‐Xiang , Ling Jun
Published: September 2010

Rare earth tris(2,6‐di‐tert‐butyl‐4‐methylphenolate) [Ln‐(OAr)3, Ln = La, Nd, Dy, Y] alone has been developed to initiate polymerization of e‐caprolactone (CL) and random copolymerization of CL with 2, 2‐dimethyltrimethylene carbonate (DTC). The structures of polymers were analyzed by GPC, ER and NMR methods. Their crystal and thermal properties were discussed in terms of DSC. The initiating efficiencies were mainly affected by the size of rare earth metal in the sequence of La(OAr)3 > Nd(OAr)3 ∼ Y(OAr)3 > Dy(OAr)3. La‐(OAr)3 exhibited rather high activity to prepare PCL with a molecular weight of 2.15 × 105 and Ma/Ma of 2.27. The composition of random copolymer can be quantitatively controlled either by reaction time or by feed ratio of monomer.
Reaction of Grignard Reagents with Diethyl Perfluoroacyl (1‐Cyanoethyl) phosphonates. Synthesis of Perfluoroalkylated α, β‐Unsaturated Nitriles with Predominant Z‐Selectivity
Authors: Shen Yan‐Chang , Jiang Guo‐Fang
Published: September 2010

Diethyl (1‐cyanoethyl) phosphorate 1 was reacted with n‐butyl‐lithium in tetrahydrofuran (THF) at ‐ 78 °C and the resulting carbanion 2 reacted with perfluoroalkanoic add anhydride to afford perfluoroacylated phosphorate 3. Without isolation 3 was attacked by Grignard reagents giving perfluoroalkylated α, β‐unsaturated nitriles in 46%‐88% yields with high Z‐stereoselectivity (Z: E = 89–62:11–38).
Synthesis of a Mimicking Hybrid of Annonaceous Acetogenin with Steroid for Antitumoral Activity Investigation
Authors: Jiang Sheng , Wu Yu‐Lin , Yao Zhu‐Jun
Published: September 2010

The first example of annonaceous acetogenin‐steroid hybrid was synthesized for the antitumoral study.
Studies on Synthesis and Intramolecular Catalyzed Hydrolysis of Thiophosphoramidate Derivatives of Nucleoside
Authors: Miao Zhi‐Wei , Fu Hua , Feng Yu‐Ping , Han Bo , Tu Guang‐Zhong , Zhao Yu‐Fen
Published: September 2010

Novel thiophosphoramidate derivatives of nucleoside analogue as membrane‐soluble prodrugs of the bioactive free nucleotides have been prepared by thiophosphorylation reaction. 2′,3′‐O,O′‐Isopropylidene uridine‐5′‐ylN‐thiophosphoryl serine and threonine methyl esters underwent the intramolecular catalyzed hydrolysis reaction.
Structure and Stability of Interstellar Molecule C3S
Authors: Yu Hai‐Tao , Fu Hong‐Gang , Chi Yu‐Juan , Huang Xu‐Ri , Li Ze‐Sheng , Sun Jia‐Zhong
Published: September 2010

The singlet and triplet potential energy surfaces of interstellar molecule C,S are predicted at the UB3LYP/6–311 (d) and UCCSD(T)/6–311 + G(2df) (single‐point) levels. The linear singlet isomer CCCS with 1 Σ + electronic state is found to be thermodynamically and kinetically the most stable species on the singlet surface followed by other four singlet isomers, which are unstable on the basis of calculated results. On the triplet surface, the lowest‐lying species, which lies 248.79 kJ/mol above linear singlet species CCCS, is chain CCCS connectivity with 3A' electronic state. Other four triplet isomers can be considered as unstable species by means of transition state and potential energy surface scan technologies. The structures, vibrational frequencies, dipole moments and rotational constants of all optimized species are also calculated.
Study on the Extraction ofL‐Phenylalanine with Organo‐phosphoric Acid in Two and Three‐phase System
Authors: Zhang Li , Fu Xun , Hu Zheng‐Shui , Li Qiu‐Hong , Xu Ting
Published: September 2010

The extraction behaviors ofL‐phenylalanine by di‐(2,4,4‐trimethylpentyl) phosphinic acid, di‐(2,4,4‐trimethylpentyl)‐monothiophosphinic acid and di‐(2‐ethylhexyl) phosphoric acid were studied in both two‐phase and three‐phase systems respectively. The equilibrium constants for these extraction reactions were calculated.
A Novel Cobalt (III) Mixed‐polypyridyl Complex: Synthesis, Characterization and DNA Binding
Authors: Chen Hui‐Li , Yang Pin
Published: September 2010

A novel complex [Co(phen)2HPlP]Cl3[phen= phenanethroline, HPIP=2‐(2‐hydroxyphenyl) imidazo [4,5‐f][l,10]phenanethroline] has been synthesized and structurally characterized by elemental analysis, UV, IR and 1H NMR spectroscopies. The interaction of the complex with calf thymus DNA (CT DNA) has been studied using absorption and emission spectroscopy, DNA melting techniques and cyclic voltammetry. The compound shows absorption hypochromicity, fluorescence enhancement and DNA melting temperature increment when binding to CT DNA. CV measurement shows a shift in reduction potential and a change in peak current with addition of DNA. These results prove mat the compound inserts into DNA base pairs. The shift of peak potential indicates the ion interaction mode between the complex and DNA. The binding constant of the compound to DNA is 4.37 × 104. The complex also seems to be an efficient photocleavage reagent.
Preparation of Li4.4Al0.4Si0.6O4‐xLi3BO3 Solid Electrolytes by Sol‐Gel Method and Their Ionic Conductivity
Authors: Liu Hua‐Ting , Chen Ru‐Fen , Song Xiu‐Qin
Published: September 2010

The Li4.4Al0.4Si0.6O4‐xLi3BO3 (x = 0 to 0.5) km conductors were prepared by the sol‐gel method. The powder and sintered samples were characterized by DTA‐TG, XBD, SEM and ac impedance techniques. The temperature of the preparation of powder patterns decreased by this method as compared to that of the preparation in solid state reaction. The conductivity and storability increased with Li3BO3, increasing from x = 0 to 0.2 in the Li4.4Al0.4S0.4O4‐xLi3BO3, solid electrolytes. The particle size of the sintered pellets is about 0.12 μm. The maximum conductivity at 20 °C is 3.165 × 10−5 S.cm−1 for Li4.4Al0.4Si0.6Q4‐0.2Li3BO3.
Photoinduced Electron Transfer between N, N, Nr, N' ‐Tetra‐(p‐methylphenyl)‐4, 4‐diamino‐1, 1'‐diphenyl Ether (TPDAE) and Fullerenes (C60/C70) by Laser Flash Photolysis
Authors: Zeng He‐Rng
Published: September 2010

The photoinduced electron‐transfer reaction of N, N, N', N'‐tetra‐(p‐methylphenyl)‐4,4'‐diamino‐1,1'‐diphenyl ether (TPDAE) and fullerenes (C60/C70) by nanosecond laser flash photolysis occurred in benzonitrile. Transient absorption spectral measurements were carried out during 532 nm laser flash photolysis of a mixture of the fullerenes (C60/C70) and TPDAE. The electron transfer from the TPDAE to excited triplet state of the fullerenes (C60/C70) quantum yields and rate constants of electron transfer from TPDAE to excited triplet state of fullerenes (C60/C70) in benzonitrile have been evaluated by observing the transient absorption bands in the near‐IR region where the excited triplet state, radical anion of fullerenes (C60/C70) and radical cations of TPDAE are expected to appear.
Resonance Scattering Spectral Determination of HSA with a New Scattering Enhanced Reagent of K3[Fe(CN)6]
Authors: Jiang Zhi‐Liang , Peng Zhong‐Li , Liu Shao‐Pu
Published: September 2010

A new resonance scattering spectral (RSS) method for the determination of human serum album (HSA) has been proposed with the resonance scattering enhanced reagent of K3[Fe‐(CN)6]. In the medium of HCl (2.0 × 10−3 mol/L), HSA may combine with [Fe(CN)6]3‐ by intermolecular forces (mainly by electrostatic force) to form { [Fe (CN)6]3‐n ‐HSAm+ }k nanoparticle of the ion‐association complexes of HSAm+‐[Fe(CN)6]3‐n. There is a strongest resonance scattering intensity at 351 nm, owing to the existence of the resonance scattering of the nanoparticle, [Fe(CN)4]3‐ molecular absorption and the non‐distribution of the emission intensity of Xe lamp in the range of 200–1000 nm. In addition, two resonance scattering peaks at 470 and 700 nm were observed. The HSA concentration in the range of 0–12 μg/mL is linear to the resonance scattering intensity at 351 nm. The determination limit of this method is 0.1 μg/mL HSA, about ten‐fold lower than that of Coomassie brilliant blue protein assay. This method has been used for the determination of HSA in human serum and synthetic samples with satisfactory results. The mechanism of enhanced resonance scattering light, the TEM of the particle, the concepts of quasi‐elastic absorption and un‐elastic absorption were also discussed.
Synthesis and Crystal Structure of a Novel Mixed Nido‐like and Half‐open Cubane‐like Cluster [(n‐Bu)4N]3[MoS4Cu5Br6]
Authors: Liu Quan , Xu Qing‐Feng , Zhang Yong , Chen Jin‐Xiang , Zhou Zhi‐Feng , Lang Jian‐Ping
Published: September 2010

Reaction of (NH4)2MoS4 with [Cu(MeCN)4] (BF4) and (n‐Bu)4NBr in CH2Cl2 afforded a new hexanuclear cluster [(n‐Bu)4N]3[MoS4Cu5Br6] (1). 1 crystallizes in the monoclinic system, space group P21/c, with lattice parameters a = 1.17383(4) nm, b = 2.40136(4) nm, c = 2.64112(5) nm, β = 94.2020(5)°, V = 7.4247(5) nm3 and Z = 4. The structure of the [MoS4Cu5Br6]3‐ trianion of 1 is composed of one nido‐like [MoS3Cu3] core and one half‐open cubane‐like [MoS3Cu3Br] core, which are interconnected by sharing the same MoSCuS plane. The MoCu distances vary in the range of 0.2622(6)‐0.2692(5) nm.
X‐Ray Structure of 8‐Quinolinolato Lanthanide Complex: (8‐Quinolinolato) bis (2,6‐di‐ tert ‐butyl‐4‐methylphenoxo) samarium
Authors: Yuan Fu‐Gen , Liu Qmg‐Sheng , Weng Lin‐Hong
Published: September 2010

The heteroleptic (8‐quinolinolato)bis(2,6‐di‐tert‐butyl‐4‐methyl‐phenoxo) samarium complex was synthesized and characterized by elemental analysis, IR spectrum and X‐ray diffraction analysis. The complex is a five‐coordinate dimer. Each 8‐quinolinolato oxygen atom links two samarium atoms as a bridge and the Sm‐N bond is a typical donor bond.
Studies on Middle‐Phase Microemulsions of Green Surfactant n‐Dodecyl Polyglucoside C12G1.46
Authors: Jin‐Ling Chai , Chang‐Ju Wu , Gan‐Zno Li , Gao‐Yong Zhang
Published: September 2010

The three‐phase behavior in the quaternary system of n‐dodecyl polyglucoside C12G1.46/1‐butanol/cyclohexane/water has been studied at 40°C in terms of the variables γ and δ. Increasing δ at constant γ causes a phase inversion from an oil‐in‐water microemulsion in contact with excess oil (winsor I or 2) to a water‐in‐oil microemulsion in contact with excess water (winsor II or 2−) via a middle‐phase microemulsion in contact with excess oil and water (winsor III or 3). By taking into account the different solubilities of alkyl polyglucoside and 1‐butanol in the oil phase, the composition of the hydrophile‐lipophile balanced interfacial film in the middle of the three‐phase body can be calculated. The effects of different oils and aqueous media on the phase behavior and on the composition of the interfacial film and the efficiency for alkyl polyglucoside to make equal weights of water and oil to a single phase were investigated. It was found that the oil molecules with small molecular volumes can improve the solubilizing efficiency of the surfactant to form single‐phase microemulsion. In inorganic salt (NaCl) and add (HCl) solutions, less 1‐butanol is needed than that in alkali (NaOH) solution to form middle‐phase microemulsion.
Microcalorimetric Study on the Oscillating System of Two‐phase Reaction of Aqueous Acid with Primary Amine in Chloroform
Authors: Hong‐Lin Zhang , Xiu‐Fang Yu , Cheng‐Xue Lu , Si‐Xiu Sun , Guo‐Hna Gu , Xim Fu
Published: September 2010

It has been found that the two‐phase reactions of aqueous HCl, HOAc or H3PO4with primary amine N1923in chloroform are oscillating reactions. Their power‐time curves were measured by the titration microcalorimetric method, and the induction period (tta). The first oscillating period (tp.1) and the second oscillating period (tp.2) were determined. The apparent activating parameters and the orders of the oscillating systems were calculated and the following relationships were established: for the oscillating system of hydrochloric acid tin∞ c0.147HCIexp(1.35 × 103/T), tp.1∞ c0.241HCI, exp(4.33 × 103/T), tp.2∞ c0.290HCIexp(5.59 × 103/T); for the oscillating system of acetic acid, tin∞ c0.883HOAcexp(2.32 × 103/T), tp.1∞ c0.399BOAc, exp(4.50 × 103/T), tp.2∞ c0.301HOAcexp(5.88 × 103/T); for the oscillating system of phosphoric acid, tin∞ c1.14exp(7.70 × 104), tp.1∞ c1.42exp (1.14 × 104/T), tp.2∞ c1.47exp (1.27 × 104/T)
Study of the Ion Channel Behavior of Didodecyldimethylammonium Bromide Formed Bilayer Lipid Membrane Stimulated by PF6−
Authors: Yue‐Hong Tong , Xiao‐Jun Han , Er‐Kang Wang
Published: September 2010

Bilayer lipid membranes (BLM) formed from didodecyldimethylammonium bromide were made on the freshly exposed surface of a glassy carbon (GC) and were demonstrated by the ac impedance spectroscopy. The ion channels of membrane properties induced by PF6− were studied by the cyclic voltammetric methods. Experimental results indicated that the ion channel of BLM was open in the presence of the PF6− due to the interaction of PF6− with the BLM, while it was switched off in the absence of PF6−, Because the ion channel behavior was affected by the concentration of PF6−, a sensor for PF6− can be developed.
Study on the Methyl Migration of 10‐Methoxy‐5,10‐dihydrophenophosphazine 10‐oxide
Authors: Zhi‐Gang Yin , De‐Feng Zhao
Published: September 2010

The title compound (1) was treated with NaH at room temperature in anhydrous DMF to give a sodium salt (containing nitrogen anion) which could shin the methyl group from oxygen to nitrogen atom to form N‐methyl phosphinic add as the reaction temperature was increased to 120°C. Three nitro derivatives containing 5,10‐dihydrophenophosphazine ring system were prepared for the investigation on the above reaction mechanism which would be possibly regarded as a special inter‐molecular substitution, viz., the nucleophilic nitrogen anion from one molecule of 1 attacked the carbon atom of the O‐methyl of another 1. In addition, the chemical structures of seven compounds containing 5,10‐dihydrophenophosphazine ring system involved in the experiment were confirmed by IR, 1H NMR, 31P NMR and mass spectroscopy.
Structural Elucidation and Antitumor Activity of Polysaccharide AMP‐1 from Atractylodis macrocephalae K.
Authors: Jun‐Jie Shan , Wd Ke , Jun‐E Deng , Geng‐Yuan Han
Published: September 2010

A polysaccharide named as AMP‐1 was isolated from the root of Atractylodis macrocephalae Koidz, and purified by ethanol fractionation and gel filtration. The homogeneity of AMP‐1 was determined by HPLC and capillary electrophoresis that gave a single peak. AMP‐1 is composed of galactose and mannose in a molar ratio of 1.0:1.9. Its molecular weight is 3.8 × 103. The structure of ghycan was elucidated by IR, 1H NMR, 13C NMR and methylation analysis, and on the basis of the results was suggested that AMP‐1 contain a backbone of β. (1–2)‐D‐galactose residues with branches of single β‐D‐mannose residue being substituted at the O‐6. Bioactivity assay of AMP‐1 showed that it could inhibit growth of Sarcoma 180 and Lewis pulmonary carcinoma implanted in mice.
Synthesis of the Cyclopentenylamine Derivatives Promoted by SmI2
Authors: Xiao‐Liang Xu , Yong‐Min Zhang
Published: September 2010

The intermolecular reductive coupling of 1,1‐diaryl‐2,2‐dicyanoethylenes with cinnamic esters promoted by samarium(II) iodide was studied. Functionalized cyclopentenylamine derivatives were prepared in good yields under neutral and mild conditions.
Synthesis and Properties of a New Two‐photon‐absorbed Material DMAEAS
Authors: Yun‐Xing Yan , Xiao‐Qiang Yu , Dong Wang , Xian Zhao , Qi Fang , Min‐Hua Jiang
Published: September 2010

Trans‐4‐(N, N'‐dimethyl amino)‐4′‐(N, N'‐diethyl amino) stilbene (DMAEAS) has been synthesized and characterized by 1H NMR spectra, IR spectra, and elemental analyses. Its linear absorption, single‐photon induced fluorescence and two‐photon induced fluorescence are experimentally studied. This new dye has a great two‐photon absorption (TPA) cross‐section of δ2 = 1.16 × 10–46 cm4·s/photon at 532 nm by using an open aperture Z‐scan system. When pumped with 800 nm laser irradiation, DMAEAS shows a strong two‐photon induced blue fluorescence of 440 nm.
Exchange Interaction of a Novel Heterospin Polynuclear Complex Containing Transition Metals and Imino Nitroxide Radicals: {[(CuL)Nid (IM‐2Py)2] (C104)2}2·2H2O
Authors: Zhi‐Liang Liu , Li‐Cun Li , Dai‐Zheng Liao , Zong‐Hui Jiang , Shi‐Ping Yan
Published: September 2010

A novel heterospin complex {[(CuL) Ni(IM‐2Py)2] (ClO4)2}2· 2H2O (L = 2,3‐dioxo‐5,6:14, 15‐dibenzo‐1,4,8,12‐tetraazacyclo‐pentadeca 7, 12‐diene, IM‐2Py = 2‐(2′‐pyridyl)‐4, 4, 5, 5‐tetramethyl‐4, 5‐dihydro‐1H‐imidazoline‐1‐oxyl) has been synthesized and its crystal structure was determined by X‐ray diffraction analysis. In order to interpret the exchange interaction of tins asymmetric heterospin system, a theoretical model has been established. Using this theoretical model the magnetic susceptibility data have been fitted and lead to coupling constant values equal to 1.4 cm−1 (Ni‐Rad) and‐38.0 cm−1(Ni‐Cu), respectively.
Chiral Ferrocenyl Amino Alcohols: Preparation and Application as Catalysts in the Enantioselective Reduction of Ketones Using NaBH4/I2
Authors: Wd‐Yi Chen , Jun Lu , Zong‐Xuan Shen , Jian‐Ping Lang , Li‐Fen Zhang , Ya‐Wen Zhang
Published: September 2010

Five novel chiral ferrocenyl amino alcohols were prepared from natural amino adds and used as catalysts in the asymmetric reduction of prochiral ketones with NaBH4/I2 combination. The incorporation of the ferrocenyl moiety into the molecule of the chiral amino alcohols greatly improved their enantioselectivity in the catalysis. The optically active secondary alcohols were obtained in moderate to good enantiomeric excesses and high chemical yields.
Chemical Constituents of Ailanthus triphysa
Authors: Shu‐Hua Qi , Da‐Gang Wu , Yun‐Bao Ma , Xiao‐Dong Luo
Published: September 2010

Two new compounds, 8(14),15‐isopimaradiene‐2α,3α,19‐triol (1), and 6α,7β‐dihydroxy‐17(20)‐cis‐5α‐pregna‐16‐one (2), together with four known compounds, a oxygenated rare phyllocladane, phyllocladan‐16a, 19‐diol (3), kaempferol‐3‐O‐β‐D‐galactopyranoside, kaempferol‐3‐O‐α‐L‐rhamnopyranoside and scopoletin, were isolated from the leaves of Ailanthus triphysa. Structures of 1–3 were elucidated on the basis of spectroscopic data as compared with related compounds.
Ab initio Mechanism Study on the Reaction of Chlorine Atom with Formic Acid
Authors: Hai‐Tao Yu , Yu‐Juan Chi , Hong‐Gang Fu , Ze‐Sheng Li , Jia‐Zhong Sun
Published: September 2010

The potential energy surface (PES) for the reaction of Cl atom with HCOOH is predicted using ab initio molecular orbital calculation methods at UQCISD(T, full)/6–311 ++ G(3df,2p)/UMP2(full)/6–311+ G(d, p) level of theory with zero‐point vibrational energy (ZPVE) correction. The calculated results show that the reaction mechanism of Cl atom with formic acid is a C‐site hydrogen abstraction reaction from cis‐HOC(H)0 molecule by Cl atom with a 3.73 kJ/mol reaction barrier height, leading to the formation of cis‐HOCO radical which will reacts with Cl atom or other molecules in such a reaction system. Because the reaction barrier height of O‐site hydrogen abstraction reaction from cis‐HOC(H)O molecule by Cl atom which leads to the formation of HCO2 radical is 67.95 kJ/mol, it is a secondary reaction channel in experiment. This is in good agreement with the prediction based on the previous experiments.
Molecular Interactions in Binary Mixtures of Benzene with 1‐Alkanols (C5, C7, C8) at 35 °C: An Ultrasonic Study
Authors: Ali A. , Nain A. K. , Kumar N. , Ibrahim M.
Published: September 2010

Densities and ultrasonic speeds have been measured in binary mixtures of benzene with 1‐pentanol, 1‐heptanol and 1‐octanol, and in the pure components, as a function of composition at 35 °C. The isentropic compressibility, intermolecular free length, relative association, acoustic impedance, isothermal compressibility, thermal expansion coefficient, deviations in isentropic compressibility, excess free length, excess volume, deviations in ultrasonic speed, excess acoustic impedance, apparent molar compressibility, apparent molar volume, partial molar volume of 1‐alkanol in benzene have been calculated from the experimental data of densities and ultrasonic speeds. The variation of these parameters with composition indicates weak interaction between the component molecules and this interaction decreases in the order: 1‐pentanol > l‐heptanol> 1‐octanol. Further, theoretical values of ultrasonic speeds were evaluated using free length theory, collision factor theory, Nomoto's relation and Van Dæl‐Vangeel ideal mixing relation. The relative merits of these theories and relations were discussed for these systems.
Three‐dimensional Quantitative Structure‐Activity Relationship Analyses of a Series of Butenolide ETAAntagonists
Authors: Li‐Li Zhu , Xiao‐Jie Xu
Published: September 2010

Two kinds of Three‐dimensional Quantitative Structure‐activity Relationship (3D‐QSAR) methods, comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA), were applied to analyze the structure‐activity relationship of a series of 63 butenolide ETAselective antagonists with respect to their inhibition against human ETAreceptor. The CoMFA and CoMSIA models were developed for the conceivable alignment of the molecules based on a template structure from the crystallized data. The statistical results from the initial orientation of the aligned molecules show that the 3D‐QSAR model from CoMFA (q2= 0.543) is obviously superior to that from the conventional CoMSIA (q2= 0.407). In order to refine the model, all‐space search (ASS) was applied to minimize the field sampling process. By rotating and translating the molecular aggregate within the grid systematically, all the possible samplings of the molecular fields were tested and subsequently the one with the highestq2was picked out. The comparison of the sensitivity of CoMFA and CoMSIA to different space orientation shows that the CoMFAq2values are more sensitive to the translations and rotations of the aligned molecules with respect to the lattice than those of CoMSIA. The best CoMFA model from ASS was further refined by the region focused technique. The high quality of the best model is indicated by the high cross‐validated correlation and the prediction on the external test set. The CoMFA coefficient contour plots identify several key features that explain the wide range of activities, which may help us to design new effective ETA selective antagonists.
Phase Chemistry and Thermochemistry on Coordination Behavior of Zinc Chloride with Leucine
Authors: Sheng‐Li Gao , San‐Ping Chen , Rong‐Zu Hu , Qi‐Zhen Shi
Published: September 2010

The solubility property of the ZnCl2‐Leu‐H2O (Leu= L‐α‐leucine) system at 298.15 K in the whole concentration range was investigated by the semimicro‐phase equilibrium method. The corresponding solubility diagram and refractive index diagram were constructed. The results indicated that there was one complex formed in this system, namely, Zn(Leu)Cl2. The complex is congruently soluble in water. Based on phase equilibrium data, the complex was prepared. Its composition and properties were characterized by chemical analysis, elemental analysis, IR spectra, and TG‐DTG. The thermochemical properties of coordination reaction of zinc chloride with L‐α‐leucine were investigated by a microcalorimeter. The enthalpies of solution of L‐α‐leucine in water and its zinc complex at infinite dilution and the enthalpy change of solid‐liquid reaction were determined at 298.15 K. The enthalpy change of solid phase reaction and the standard enthalpy of formation of zinc complex were calculated. On the basis of experimental and calculated results, three thermodynamic parameters (the activation enthalpy, the activation entropy and the activation free energy), the rate constant and three kinetic parameters (the activation energy, the pre‐exponential constant and the reaction order) of the reaction, and the standard enthalpy of formation of Zn(Leu)2+ (aq) were obtained. The results showed that the title reaction took place easily at studied temperature.
Syntheses, Structures and Characterizations of Two New Vanadium (V) Complexes: [2‐MePyH] [ VvO2 (C14H9N2O3Br)] and [2‐EtPyH ] [ VvO2 (C14H9N2O3Br) ]
Authors: Xiu‐Tang Zhang , Quan‐Zheng Zhang , Wen‐Bin Yang , Ding‐Ming Wu , Can‐Zhong Lu
Published: September 2010

Two new oxovanadium(V) complexes, [2‐MePyH][VvO2(L)] (3) and[2‐EtPyH][VvO2,(L)] (4) (salicylaldehyde 5‐bromo salicyloylhydrazone is abbreviated as H2L; 2‐MePyH is protonated 2‐Mepyridine; 2‐EtPyH presents protonated 2‐Et‐pyridine) were obtained from a reaction of VOSO4 and H2L in acetonitrile‐methanol with small quantity of 2‐Me‐pyridine or 2‐Et‐pyridine, and characterized by X‐ray diffraction and spectroscopic methods. Crystal data: [2‐MePyH][VO2(L)] (3), C20H17N3O5BrV, Mr = 510.2, monoclinic, P21/n, a = 0.7363(1) nm, 6 = 0.9514(1) nm, c = 2.8594(2) nm, β = 95.305(2)°, Z = 4 and V=1.9946(3) nm3, μ(Mo Kα) = 2.539 mm−1; [2‐EtPyH][VO2(L)] (4), C21H19N3 O3BrV, Mr = 524.2, triclinic, P1, a = 0.8051(1) nm, b = 0.9413(1) nm, c = 1.4648(2) nm, α=99.1900(10)°, α = 99.4530(10)°, γ = 104.6670(10)°, Z = 2 and V= 1.0355(2) nm3, μ(Mo Kα) = 2.448 mm−1, X‐Ray analyses revealed that the crystal structures of 3 and 4 have similar packing modes.
Polymeric Structure and Solid NMR Spectra of Cadmium (II) Dialkyldithiophosphates (Alkyl = Propyl, Butyl, Isopropyl and Isobutyl)
Authors: Ye‐Gao Yin , Fording Willis , Antzutkin Oleg , Lindbergh Mats , Ivanov Alexander , Boströum Dan
Published: September 2010

By dropwise adding thio ligands to concentrated aqueous solutions of Cd(ClO4)2·6H2O, polymeric complexes, Cd(II) O, O'‐dipropyldithiophosphate (1), O, O'‐dibutyl‐dithiophosphate (2), O, O'‐diisopropyl‐dithiophosphate (3) and O, O'‐diisobutyl‐dithiophosphate (4) were obtained. The structure of 4 was determined by X‐ray diffraction analysis, showing that the metal ion sits in distorted tetrahedral sulphur coordination sphere and that the eight‐membered bimetallic rings take the twist chair and boat conformations, alternately. Based on facts that the S(1)—Cd bond length [0.25099(12) nm] is shorter than the other S—Cd bond length [0.25399(12)—0.25701(18) nm] and that the S(1)‐involving angles [113.45(4)°—118.43(5)°] are systematically larger than the normal angles of a tetrahedron, the ligands are hypothesized to be erratically functionalized to Cd(II). To certify the steric nonequivalence of ligands, the compounds were investigated by solid 13C, 31P and 113Cd NMR spectroscopy.
Investigation of Copper Halide: Hydrothermal Syntheses and Characterization of CuBr2(C12H8N2) and Cu3Br3(C12H8N2)2
Authors: Xiao‐Li Zhao , Ji‐Qing Xu , Li‐Juan Zhang , Jie‐Hui Yu , Qing‐Xin Zeng , Xiao‐Bing Cui , Tie‐Gang Wang , Tian‐Wei Wang
Published: September 2010

The reaction of CuBr2with 1,10‐phen‐H2O (1,10‐phen = 1,10‐phenanthroline) gave two compounds: CuBr2(C12H8N2) and Cu3Br3(C12H8N2)2. Their structures have been characterized by single‐crystal X‐ray diffraction analysis, elemental analyses, thermogravimetric analyses (TGA) and measurement of variable temperature magnetic susceptibility. Crystal data for CuBr2(C12‐H8N2): monoclinic, space groupP21/n, a= 0.9977(3) nm,b= 0.65138(14) nm,c= 1.8207(4) nm, β = 91.624(18)°,V= 1.1828(5) nm3,Z= 2. Crystal data for Cu3Br3(C12H8N2)2: monoclinic, space groupC2/c, a= 1.00167(11) nm,b= 1.4523(4) nm,c= 1.6295(3) nm, β = 94.386(14)°,V= 2.3635(8) nm3, Z = 3.
Synthesis and Thermal Rearrangement of Tetramethyldisilane‐bridged Bis(cyclopentadienyl) Diiron Complexes with Bis (phosphine) Substitution
Authors: Xiu‐Li Sun , Bai‐Quan Wang , Shan‐Sheng Xu , Xiu‐Zhong Zhou
Published: September 2010

Photolysis of (Me2SiSiMe2) [C5H4Fe (CO)2]2 with a series of bis‐(phosphine) ligands Ph2P(CH2)n PPh2 (n = 1–4) leads to the formation of the corresponding diiron complexes with intramolecular and intermolecular bis (phosphine) substitution. When these complexes were heated in refluxing xylene, only in the complexes with intermolecular bis (phosphine) substitution the thermal rearrangement reaction occurred.
Assembly of a New Cyano‐bridged 4f‐3d Dimer Sm(DMSO)4‐ (H2O)3Cr(CN)6 and Crystal Structure of [K3(18‐crown‐6)3‐(H2O)4]Cr(CN)6·3H2O
Authors: Bei‐Chuan Zhou , Hui‐Zhong Kou , Yi He , Ru‐Ji Wang , Ya‐Dong Li , Hong‐Gen Wang
Published: September 2010

A new cyano‐bridged binuclear 4f‐3d complex Sm(DMSO)4‐(H2O)3Cr(CN)6 was synthesized and characterized by single crystal structure analysis. It crystallizes in monoclinic, space group P21 with a=0.9367(2) nm, b = 1.3917(3) nm, c = 1.1212(2) run, β = 99.88(3)° and Z = 2. In this binuclear complex, Sm atom is eight coordinated and linked to the Cr atom by a cyano bridge. The molecules packs to form 3D structure due to the hydrogen bonds among them. [K3(18‐C‐6)3(H2O)4]Cr(CN)6·3H2O (18‐C‐6 represents 18‐crown‐6‐ether) that was synthesized as a byproduct in the preparation of a Gd—Cr complex is also structurally characterized. Crystal data: triclinic, space group P‐l with a = 1.0496(7) nm, b= 1.1567(14) nm, c = 1.3530(13) nm, a = 94.15(9)°, β = 96.04(8)°, γ = 95.25(9)° and Z = l. [K3(18‐C‐6)3(H2O)4]‐Cr(CN)6·3H2O consists of ionic [K3(18‐C‐6)3(H2O)4]3+ and [Cr(CN)6]3‐ pairs, of which the [K3(18‐C‐6)3(H2O)4]3+ ion is a trinuclear duster connected by water, and K atoms are eight coordinated by eight oxygen atoms of one 18‐C‐6 and two water molecules.
A Regioselective Method for the Synthesis of Benzene Derivatives: Palladium‐catalyzed Cyclotrimerization of Ethyl Propiolate
Authors: Jin‐Sheng Cheng , Huan‐Feng Jiang , Xiao‐Yue Ouyang , Qun‐Jian Zhang
Published: September 2010

An NEt3‐induced palladium complex PdL2Cl2 catalyzed cyclotrimerization reaction of ethyl propiolate (EP) is reported for the first time. The reaction proceeded readily in a regioselective manner under mild conditions to give cyclotrimerization product 1,2,4‐triethyl benzenetricarboxylate as well as its 1,3,5‐isomer in good yields. Influences of the ligands, NEt3, solvents, oxidants as well as temperature are studied, and a possible mechanism is also proposed.
Structure of Cyclic Aryl Thioester Dimer Based on o‐Phthaloyl Dichloride and Bis(4‐mercaptophenyl) Sulfide
Authors: Qing‐Zhong Guo , Hong‐Hua Wang , Tlan‐Lu Chen
Published: September 2010

A cyclic aryl thioester dimer was prepared by the reaction of o‐phthaloyl dichloride and bis(4‐mercaptophenyl) sulfide in good yield under pseudo‐high dilution conditions via interfacial polycondensation. The structure of the cyclic dimer was confirmed by a combination of MALDI‐TOF‐MS, FITR, gel permeation chromatography and NMR analyses. The X‐ray diffraction study of the single crystal of cyclic thioester dimer obtained from two solutions reveals no severe internal strain on the cyclic structure.
Dependence of Elution Curve and Adsorption Isotherms of Insulin on Composition of Mobile Phase of Frontal Analysis in Reversed Phase Liquid Chromatography
Authors: Xin‐Du Geng , Fred E Regnier
Published: September 2010

With frontal analysis (FA), the dependence of adsorption isotherms of insulin on the composition of mobile phase in reversed phase liquid chromatography (RPLC) has been investigated. This is also a good example to employ the stoichiometric displacement theory (SDT) for investigating solute adsorption in physical chemistry. Six kinds of mobile phase in RPLC were employed to study the effects on the elution curves and adsorption isotherms of insulin. The key points of this paper are: (1) The stability of insulin due to delay time after preparing, the organic solvent, concentration, the kind and the concentration of ion‐pairing agent in mobile phase were found to affect both elution curve and adsorption isotherm very seriously. (2) To obtain a valid and comparable result, the composition of the mobile phase employed in FA must be as same as possible to that in usual RFLC of either analytical scale or preparative purpose. (3) Langmuir Equation and the SDT were employed to imitate these obtained adsorption isotherms. The expression for solute adsorption from solution of the SDT was found to have a better elucidation to the insulin adsorption from mobile phase in RPLC.
Electrochemical Studies of Cytochrome c on Electrodes Modified by Single‐Wall Carbon Nanotubes
Authors: Fa‐Liang Cheng , Shan Du , Bao‐Kang Jin
Published: September 2010

Single‐wall carbon nanotubes (SWNTs) modified gold electrodes were prepared by using two different methods. The electrochemical behavior of cytochrome c on the modified gold electrodes was investigated. The first kind of SWNT‐modified electrode (noted as SWNT/Au electrode) was prepared by the adsorption of carboxylterminated SWNTs from DMF dispersion on the gold electrode. The oxidatively processed SWNT tips were covalently modified by coupling with amines (AET) to form amide linkage. Via Au—S chemical bonding, the self‐assembled monolayer of thiol‐unctionalized nanotubes on gold surface was fabricated so as to prepare the others SWNT‐modified electrode (noted as SWNT/AET/Au electrode). It was shown from cyclic voltammetry experiments that cytochrome c exhibited direct electrochemical responses on the both electrodes, but only the current of controlled diffusion existed on the SWNT/Au electrode while both the currents of controlled diffusion and adsorption of cytochrome c occurred on the SWNT/AET/Au electrode. Photoelastic Modulation Infared Reflection Absorption Spectroscopy (PEM‐IRRAS) and Quartz Crystal Microbalance (QCM) were employed to verify the adsorption of SWNTs on the gold electrodes. The results proved that SWNTs could enhance the direct electron transfer process between the electrodes and redox proteins.
Synthesis and Characterization of Monomeric Salicylaldiminato Lanthanide Complexes and Their Catalytic Behavior for Polymerization of ϵ‐Caprolactone
Authors: Long‐Bao Yu , Ying‐Ming Yao , Qi Shen , Jing Zhang , Li‐Xin Wu , Ling Ye
Published: September 2010

Anhydrous LnCl3 reads with 2 equiv. of the sodium salt of the bidentate Schiff base N‐(2, 6‐diisopropylphenyl) salicylaldimine in THF to form the monomeric lanthanide chlorides [2‐OC6H4CH = N(2,6‐i‐Pr2C6H3)]2LnCl(THF) [Ln=Yb (1), Er (2)]. Complex 1 crystallizes in P1 space group with a = 0.9215(2) nm, b = 1.36612(4) nm, c = 1.6899(2) nm, a = 74.83(3)°, β = 77.43(2)°, γ = 81.04(1)°, Z = 2, V = 1.9929(4) nm3, Dc = 1.402 g/cm3. The two complexes exhibited fairly good catalytic activity in the ring‐opening polymerization of ϵ‐caprolactone.
Syntheses and Characterization of Half‐Sandwich Zirconium Complexes with Dichalcogenolate o‐Carborane Ligands
Authors: Xiao‐Yan Yu , Guo‐Xin Jin , Ning‐Hai Hu
Published: September 2010

Metallocene complex Cp2#ZrCl2(Cp# = η5–1,3‐tBu2C5H3) (1) has been prepared from the reaction of LiCp# with ZrCl4 in good yield. Reactions of 1 with dilithium dichalcogenolate o‐carboranes afforded new type of half‐sandwich compounds with dichalcogenolate o‐carboranyl ligands, [Li(THF)4][Cp#Zr(E2C2B10H10)2] (E=S, 2a; E= Se, 2b) in which only one cyclopentadienyl ring ligand existed. Complexes 1 and 2a were structurally characterized by X‐ray analyses. In complex 2a, the Zr(IV) ion is η5‐bound to one 1,3‐di‐tert‐cydopentadienyl ring and s̀‐bound to four μ2‐sulfur atoms of two dithio‐carboranes. The zirconium atom and four sulfur atoms form a distorted pyramid. The coordination sphere around the zirconium atom resembles in a piano stool structure with four legs of sulfur atoms and the fulcrum at the zirconium atom.
Synthesis and Crystal Structure of Drum Organooxotin Clusters from Heteroaromatic Carboxylic Acid [PhCH2Sn(O)(O2CC5H4N)]6and [PhCH2Sn (O) (O2CC4H3O)]6
Authors: Han‐Dong Yin , Chuan‐Hua Wang , Chun‐Lin Ma , Hai‐Xia Fang
Published: September 2010

Two novel drum organooxotin dusters [PhCH2Sn(O)‐ (O2CC5H4N)]6(1) and [PhCH2Sn(O)(O2CC4H3O)]6(2) were synthesized by the reaction of [(PhCH2)3Sn]2O with 2‐pyridinecarboxylic acid and 2‐furancarboxylic add in 1:2 molar ratio. Their structures were determined by X‐ray single crystal diffraction analysis. The crystal 1 belongs to monoclinic with space groupP2(1)/c,a= 1.2194(6) nm,b= 1.2378(2) nm,c= 2.6084(4) mn, β = 94.148(3)°,Z= 2, V= 3.9270(11) mn3,Dc= 1.765 kg/m3, μ = 1.951 mm‐1,F(000)=2040,R= 0.0516,wR= 0.0989. The crystal 2 belongs to orthorhombic with space groupPccn,a= 2.0300(6) nm,b= 2.2670(6) nm,c= 1.6088(5) nm, β = 90°,Z= 4,V=7.404(4) nm3,Dc= 1.813 g/cm3, μ = 2.070 mm−1,F(000) = 3936,R= 0.0459,wR= 0.0884. Their structures show a distorted octahedral configuration with six‐coordination for the central tin atom.
Synthesis and Surface Tension Properties of Polyethyleneimine‐ Polyethylene Oxide Block Copolymers
Authors: Jian Zhang , Bryant Lonnee
Published: September 2010

This paper describes the synthesis, surface tension and dispersancy properties of block copolymer nonionic surfactants comprised of polyethyleneimine (PEI) and polyethylene oxide (PEO) blocks of selected lengths. These block copolymers were prepared by a threestep synthetic sequence. Firstly, PEO glycol was converted to its dimethanesulphonylester (dimesyl) derivative by reacting with methanesulphonyl chloride. Then a tri‐block polymer was prepared by the ring‐opening polymerization of 2‐methyl‐2‐oxazoline (MeO‐ZO) with the dimesyl PEO derivative. Lastly, linear PEI blocks were obtained by subsequent hydrolysis and purification. 1H NMR spectra confirmed the structures of the intermediate, final products and their purities (> 99%). The utility of these block copolymers is described in terms of their surface tension and day dispersancy measurements as a function of copolymer chain and block length.
Synthesis and Characterization of p‐[Perfluoro‐1‐(2‐fluorosulfonylethoxy)] ethylated Polystyrene
Authors: Chuan‐Jin Guan , Ke Zhang , Xin‐Liang Feng , Cheng‐Xue Zhao
Published: September 2010

A new fluorinated polystyrene bearing a p‐substituted perfluoro[1‐(2‐fluorosulfonylethoxy)] ethyl group was synthesized via one‐electron oxidation of polystyrene by perfluoro [2‐(2‐fluorosulfonylethoxy)] propionyl peroxide at different peroxide to polystyrene molar ratios. The yield of perfluoroalkylation decreases with the increase of the reactant molar ratio. The modified polymer has been characterized by various techniques: the ring perfluoro[l‐(2‐fluorosulfonylethoxy)] ethylation has been proved by FT‐IR and 19F NMR; the X‐ray photoelectron spectra (XPS) show the maximum binding energy of Fls, Ols Cls(two kinds of carbon atoms, namely C‐H and C‐F) and S2p, respectively; desulfonylation of the fluorinated polystyrene appearing at 217 °C has been found by its thermogravimetric analysis (TGA). The determinations of contact angle, refractive index and glass transition temperature of the modified polymer have disclosed that when the contact angle increases with the increase of the molar ratio, the refractive index and glass transition temperature decrease. The polydispersity values indicate that the degradation of the polymer chains did not occur during the reaction.
Cloud Points of Water‐soluble Polyether Phosphites and Their Application in the Biphasic Hydroformylation of Higher Olefins
Authors: Xiao‐Zbong Liu , Yan‐Hua Wang , Fan‐Zhi Kong , Zi‐Lin Jin
Published: September 2010

Water‐soluble polyether phosphites alkyl polyethylene glycol o‐phenylene phosphite (APGPPs) were easily prepared via alcoholysis of phosphorus chloride with polyoxyethylene alkyl ether. With appropriate HLB (hydrophile‐lypophile balance), the phosphites possess clear cloud points below 100 °C. Addition of some inorganic salts decreases cloud points of the phosphites. When the phosphites have long polyether chain binding to short‐chain alkyl group, their cloud points could be extrapolated from figure of dependence of cloud points on addition of inorganic salts. Utilizing octylpolyglycol‐phenylene‐phosphite (OPGPP) (APGPP, R: Octyl)/Rh complex formed in situ as catalyst, over 90% conversion of 1‐decene was obtained, avoiding the limitation of water insolubility of substrates. Preliminary results indicated that micellar catalysis and thermoregulated phase‐transfer catalysis (TRPTC) coexist in the reaction system. Below cloud point, micellar catalysis induced by polyether phosphites may be existed. When temperature is increased to above cloud point of the phosphites, this reaction works mainly in TRPTC. The catalysts could be easily separated by simple decantation, but followed by considerable loss in activity after three successive reaction runs. Preliminary results indicated hydrolysis of OPGPP happened during the reaction, which may explain for the bad loss in activity. The catalyst was reused up to seven times without clear decrease in activity when OPGPP/Rh ratio was increased to 50.
Synthesis of N‐(4‐Salicylideneiminoaryl) monoaza Crown Ethers and Dioxygen Affinities of Their Cobalt (II) Complexes
Authors: Wei Zeng , Hong‐Bo Li , Xing‐Yao Wei , Sheng‐Ying Qin , Rui‐Li Xiang
Published: September 2010

The Schiff base‐containing pendant monoaza crown ether HL1, HL2, HL3 and HL4 have been synthesized by condensation of salicylaldehyde with N‐(4‐aminoaryl) monoaza crown ethers, which were prepared conveniently from 4‐nitro‐N, N‐di(hydroxyethyl) aniline or 4‐nitrobenzyl chloride via cyclization or condensation and reduction. The structures of HL1—HL4 were verified by 1H NMR, IR spectra, MS and elemental analysis. Moreover, the oxygenation constants (KO2) and thermodynamic parameters (δH0 and δS0) of their cobalt(II) complexes were determined in the range of −5 °C to 25 °C, and the effect of crown ring bonded to a Schiff base on the dioxygen affinities of cobalt(II) complexes was also observed as compared to the uncrowned analogue (CoL).
A Novel Three‐dimensional Framework with Tunnels Based on the Cobalt‐containing Molybdenum Phosphate Moieties
Authors: Ru‐Dan Huang , Fu‐Chen Liu , Yang‐Guang Li , Mei Yuan , En‐Bo Wang , Ge‐Ji‐Hu De
Published: September 2010

A novel compound (H2en)5[CoMo12O50P8(OH)12] ·2H2O (1) (en = H2NCH2CH2NH2) has been hydrothermally synthesized and characterized by elemental analyses, IR, EPR, XPS spectra and single‐crystal X‐ray diffraction analyses. Compound 1 crystallizes in a triclinic system, space group Pi, with a = 1.1863(2) nm, b = 1.3361(3) nm, c = 1.3783(3) nm, a = 88.13(3)°, β = 70.09(3)°, γ = 65.24(3)°, V = 1.8497(6) mn3, and R = 0.0417. The basic building blocks of compound 1 are|Mo6P4 [clusters forming dimers through the|CoO6] octahedra. Compound 1 exhibits an unusual three‐dimensional framework with tunnels owing to the extensive hydrogen bonding interactions between the dimers and H2en.
Electrochemical and Spectroscopic Study on the Interaction of Cytochrome c with Anionic Lipid Vesicles
Authors: Wei‐Guo Jing , Chang‐Wei Liu , Ji‐Lin Tang , Zheng‐Yan Wu , Shao‐Jun Dong , Er‐Kang Wang
Published: September 2010

The structure and the electron‐transfer of cytochrome c binding on the anionic lipid vesicles were analyzed by electrochemical and various spectroscopic methods. It was found that upon binding to anionic lipid membrane, the formal potential of cytochrome c shifted 30 mV negatively indicating an easier redox interaction than that in its native state. This is due to the local alteration of the coordination and the heme crevice. The structural perturbation in which a molten globule‐like state is formed during binding to anionic lipid vesicles is more important. This study may help to understand the mechanism of the electron‐transfer reactions of cytochrome c at the mitochondrial membrane.
Microspheres Sensor Based on Molecularly Imprinted Polymer Synthesized by Precipitation Polymerization
Authors: Zhao‐Hui Zhang , Yu‐Mei Long , Ying‐Ju Liu , Shou‐Zhuo Yao
Published: September 2010

A new biomimetic bulk acoustic wave sensor based on molecularly imprinted microspheres (MIM) technique was described. The sensing materials were synthesized by precipitation polymerization. By using the Scatchard analysis, the equilibrium dissociation constant KD and the apparent maximum number Qmax of the binding sites were calculated to be 3.70 mmol·L−1 and 9.11 μmol·g−1, respectively. The sensor exhibited a sensitive response to the template compound (dipyridamole) in liquid phase with a detection limit of 2 × 10–9 mol· L−1. The recoveries of the sensor were 95.1%‐105.4%. Studies presented in this paper show that the stability of this sensor is excellent. The sensor has been applied successfully to the determination of dipyridamole in human urine.
Synthesis of Substituted Pyrroles via Ultrasound Assisted Three‐component Coupling Reaction of Amines, α, β‐Unsaturated Aldehydes and Nitroalkanes
Authors: Yi‐Song Xiao , Yan‐Guang Wang
Published: September 2010

An efficient synthesis of substituted pyrroles via ultrasound‐assisted three‐component coupling reaction of amines with a, β‐unsaturated aldehydes and nitroalkanes is reported.
One Dimensional Coordination Polymer Constructed by 1,2‐Bis(4‐pyridinecarboxamido) ethane and Copper (II)
Authors: Chun‐Hua Ge , Xiang‐Dong Zhang , Fang Guo , Li‐Tian Zhang , Zhan Yu , Wen‐Sheng Guo , Qi‐Tao Liu
Published: September 2010

The ligand [1,2‐bis(4‐pyridinecarboxamido)ethane] (L) and the coordination polymer |[Cu(L)2(H2O)]‐(NO3)2·6H2O|·(1) haw been synthesized and characterized by ER and 1H NMR spectra. Their molecular structures and the packing of 1 have been determined by single‐crystal X‐ray diffraction analysis. The Cu(n) in 1 is bridged by two ligands forming an infinite one‐dimensional chain like structure and L in 1 adopts a different conformation from its free state. 1 belongs to monoclinic, space group P21/n, a = 1.2896(3) nm, b = 1.2552(8) nm, c = 2.2903(19) nm, β = 93.04(5)°, Z = 4, V = 3.702(4) nm3. The TG and DTG experiments showed that the uncoordinated H2O can be removed at low temperature by heating, and it does not decompose until 250 °C.
A Facile Solid Phase Synthesis of 2‐Alkylthio‐4(1H)‐quinolones
Authors: Jing Tang , Ming‐Guang Wu , Xian Huang
Published: September 2010

The resin‐bound cyclic malonic add ester 2 reacted with aryl isothiocyanate and alkyl halides to afford the key intermediate arylthioaminomethylene cyclic malonic ester resin 3. Subsequently, resin 3 proceeded thermal cyclization giving the 2‐alkylthio‐4(1H)‐quinolones in good yields and excellent purities.
Ant Colony Algorithm and Optimization of Test Conditions in Analytical Chemistry
Authors: Ya‐Ping Ding , Qing‐De Su , Qing‐Sheng Wu
Published: September 2010

The research for the new algorithm is in the forward position and an issue of general interest in chemometrics all along. A novel chemometrics method, Chemical Ant Colony Algorithm, has first been developed. In this paper, the basic principle, the evaluation function, and the parameter choice were discussed. This method has been successfully applied to the fitting of nonlinear multivariate function and the optimization of test conditions in chrome‐azure‐S‐Al spetrophotometric system. The sum of residual square of the results is 0.0009, which has reached a good convergence result.
An Ab initio Theoretical Study on the Nonadiabatic Coupling for Na + I2 Collision System
Authors: Xiao‐Min Sun , Zheng‐Ting Cai , Da‐Cheng Feng
Published: September 2010

The ionic and neutral state potential energy surfaces (PESs) of Na +I2 collision system have been calculated on QCISD(T) level by using ab initio method. The location and depth of the potential well, the collision radius and their fine structures have been analyzed at the equilibrium geometry of I2 molecule. The electronic transfer probabilities are also calculated in terms of Lan‐dau‐Zener model. The lifetime of scattering resonance state is evaluated by the uncertainty principle. All the results have been compared with those obtained according to the Aten‐Lanting‐Los PES and Feng's PES.