Synthesis, Crystal Structure and Quantum Chemical Study of the Ladder Organotin Compound {[(C_6H_5CH_2)2Sn]_2(O)(Cl_2)}_2

The title compound {[（C6H5CH2）2Sn]2（O）（Cl2）}2 has been synthesized by the reaction of bisbenzyltin dichloride with NaOH dilute solution, and its structure was determined by X-ray diffraction. The crystal belongs to monoclinic, space group C2/c, with a = 2.5081（17）, b = 1.0089（7）, c = 2.0909（14） nm, β = 94.267（8）°, V= 5.276（6） nm^3, Z = 4, De= 1.734 g/cm^3,μ（MoKa） = 21.55 cm^-1, F（000） = 2704, R = 0.0398 and Rw = 0.1024. According to structural analysis, the tin atom adopts a distorted five-coordinate trigonal bipyramidal geometry, and the ladder-like structure is shaped by one planar four-membered Sn2O2 ring together with two planar four-membered Sn2OCl rings.

Synthesis,Crystal Structure and Quantum Chemical Investigation of Bis-Schiff Base Compounds Derived from2-phenyl-1,2,3-triazole-4-carboxaldehyde with Diamine

Two new schiff base N,N＇-bis（（2-phenyl-2H-1,2,3-triazol-4-yl）methylene）-1,3-propanediamine （1） and N,N＇-bis（（2-phenyl-2H-1,2,3-triazol-4-yl）methylene） -1,4-butanediamine （2） were synthesized by condensation of 2-phenyl-1,2,3-triazole-4-carboxaldehyde with diamine, and characterized by elemental analysis, IR, IH NMR and MS spectra. Their crystal structures were determined by X-ray single crystal diffraction. Both crystals belong to the monoclinic system, space group P21/c. For compound 1（C21H20N8, Mr=384.45）： a = 16.314（3）, b =5.7168（11）, c = 21.316（4） A, β = 105.3（2）°, Z = 4, V = 1917.6（7） A^3, De =1.332 g/cm^3, F（000） = 808,μ = 0.086 mm 1, R = 0.0533 and wR = 0.1460; for compound 2 （C22H22N8, Mr=398.48）： a = 8.6156（17）, b = 5.2964（11）, c = 22.665（5）A, β = 100.54（3）°, Z = 2, V = 1016.8（4） A^3, De= 1.302 g/cm^3, F （000） = 420, μ = 0.083 mm^-1, R = 0.0373 and wR = 0.1155. Based on the crystal data, quantum chemistry calculation was performed on the two title compounds by means of Gaussian 98 program. The molecular orbital energies and atomic net charges population were obtained. Furthermore, we antilyzed their active atoms. The investigation can serve as a theoretical guide to study the synthesis and activity of the title compounds.

Chemical Bond and Nonlinear Optical Effects of Crystals

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Physical and chemical effects of phosphorus-containing compounds on laminar premixed flame

Phosphorus-containing compounds are the promising halon alternatives for flame inhibitions. However, some literatures suggested that the phosphorus-related inhibitors may behave as the unfavorable ones that will increase the burning velocity under lean-burn conditions, and this indeed posed potential threats to the fire prevention and fighting. To seek deeper insights into the reaction process, a numerical investigation was actualized to study the phosphorus-related effects on methane-air flames. By replacing a phosphorus-related inhibitor with the corresponding decomposed molecules, the detailed promoting and inhibiting effects of combustion were separated from the general chemical effect. A comparative study was carried out to identify the interaction between the two effects under different combustion conditions. It is observed that the promoting effect becomes the dominant factor during the reaction process when the equivalence ratio is smaller than 0.60. In this lean-burn condition, the exothermic reactions were faster than the others within the reaction chains due to the reduction of radical recombination in hydrocarbon oxidation. The results are believed to be useful for the further application and improvement of flame inhibitors.

Technology Development and Production of Certain Chemical Platinum Metals Compounds at JSC ＂Krastsvetmet＂

In recent years JSC "Krastsvetmet" has successfully developed the production of chemically pure compounds of precious metals.Currently methods have been developed and facilities have been provided for industrial production of the following platinum metals compounds:Rhodium(Ⅲ) chloride hydrate,rhodium(Ⅲ) chloride solution,rhodium(Ⅲ) nitrate solution,rhodium(Ⅲ) iodide,rhodium(Ⅲ) sulfate,hydrated rhodium(Ⅲ) oxide,ammonium hexachlororodiate,rhodium(Ⅲ) phosphate solution,rhodium electrolytes;Iridium(Ⅳ) chloride hydrate,iridium(Ⅲ) chloride hydrate,ammonium hexachloroiridate(Ⅳ),hexa chloriridium acid solution,hexachloriridium crystalline acid;Ruthenium(Ⅲ) chloride hydrate,ruthenium(Ⅳ) hydroxide chloride,ruthenium(Ⅳ) hydroxide chloride solution,ammonium hexachlororuthenate,ruthenium(Ⅲ) chloride solution,potassium,diaquaoctachloronitrido diruthenate.The quality of the production meets the requirements of Russian and foreign consumers.

Growth and characterization of single crystals of the quaternary TlGaSeS compound

The electrical conductivity and Hall effect for T1GaSeS crystals have been investigated over a wide temperature range. The crystals we used are grown by a modified Bridgman technique and possess p-type conductivity. The energy gap has been found to be 1.63 eV, whereas the ionization energy is 0.25 eV. The variations of the Hall mobility as well as the carrier concentration with temperature have been investigated. The scattering mechanisms of the carder are checked over the whole investigated temperature range. Furthermore, the diffusion coefficient, relaxation time, and diffusion length of holes are estimated.

Synthesis,Crystal Structure and Electrochemical Properties of a Cobalt Compound Based on N-(4-pyridylmethyl)imidazole Ligand

One compound with N-（4-pyridylmethyl）imidazole liand, [Co（pyim）2（N3）2]n 1 （pyim = N-（4-pyridylmethyl）imidazolv）, was synthesized and structurally characterized. Compound 1 crystallizes in triclinic, space group P21/c with a = 8.090（3）, b = 16.109（3）, c = 8.590（3）, β = 117.800（12）°, V= 990.3（5） A3, Z= 2, Mr = 46137, Dc = 1.547 g/cm3, F（000） = 474, μ= 0.901 mml, the final R = 0.0381 and wR = 0.0950 for 1581 observed reflections with I〉 2o（I）. In this compound, the unique Co（II） resides at a crystallographic inversion center and exhibits an octahedral coordination geometry. The adjacent Co（II） ions are connected by the pyim ligands to form a 2D layer structure. The layers are stacked in an ABAB mode and reinforced by the weak interlayer C-H.-.N hydrogen bonds and π-π stacking to give a 3D architecture. The thermal properly and electrochemical property of compound 1 have also been studied.

Characteristics of physico-chemical properties, volatile compounds and free fatty acid profiles of commercial set-type Turkish yoghurts

Ten most popular brands of commercial Turkish set-type yoghurts were collected from local retail outlets in Hatay, Turkey for two separate periods, and analyzed for basic nutrients, physico-chemical properties, volatile aroma compounds and free fatty acid profiles to compare their differences among the yoghurt products. The results showed that there were significant differences (P<0.05, 0.01, or 0.001) and variations in physico-chemical indices, volatile aroma compounds and volatile free fatty acid profiles among the yoghurt brands, which ultimately influence the flavor quality of the product. Acetaldehyde was predominant volatile compound in yoghurts, which followed by acetone, acetoin, diacetyl and ethanol. The level of diacetly was inversely related to titratable acidity, acetaldehyde and ethanoic acid. From ketones with high carbones 2-undecanone and 2-pentadecanone were higher than 2-butanone, 2-nanonane and 2-tridecanone. These ketones are related to fat content of yoghurt. Among short chain free fatty acids, ethanoic (acetic) acid was the most abundant in yoghurts, followed by hexanoic, octanoic and butanoic acids. These differences in detected chemical compositions of volatile compounds and free fatty acids would be applicable to predict flavor, nutritional value, quality control or shelf-life of the commmercial set-type Turkish yoghurts.

Characteristics and chemical reactivity of biogenic volatile organic compounds from dominant forest species in the Jing-Jin-Ji area,China

Background:Biogenic volatile organic compounds(BVOCs)play an essential role in tropospheric atmospheric chemical reactions.There are few studies conducted on BVOCs emission of dominant forest species in the Jing-Jin-Ji area of China.Based on the field survey,forest resources data and the measured standard emission factors,the Guenther model developed in 1993(G93)was applied in this paper to estimate the emission of BVOCs from several dominant forest species(Platycladus orientalis,Quercus variabilis,Betula platyphylla,Populus tomentosa,Pinus tabuliformis,Robinia pseudoacacia,Ulmus pumila,Salix babylonica and Larix gmelinii)in the Jing-Jin-Ji area in 2017.Then the spatiotemporal emission characteristics and atmospheric chemical reactivity of these species were extensively evaluated.Results:The results showed that the total annual BVOCs emission was estimated to be 70.8 Gg C·year^(−1),consisting 40.5%(28.7 Gg C·year^(−1))of isoprene,36.0%(25.5 Gg C·year^(−1))of monoterpenes and 23.4%(16.6 Gg C·year^(−1))of other VOCs.The emissions from Platycladus orientalis,Quercus variabilis,Populus tomentosa and Pinus tabulaeformis contributed 56.1%,41.2%,36.0% and 31.1%,respectively.The total BVOCs emission from the Jing-Jin-Ji area accounted for 61.9% and 1.8%in summer and winter,respectively.Up to 28.8% of emission was detected from Chengde followed by Beijing with 24.9%,that mainly distributed in the Taihang Mountains and the Yanshan Mountains.Additionally,the Robinia pseudoacacia,Populus tomentosa,Quercus variabilis,and Pinus tabulaeformis contributed mainly to BVOCs reaction activity.Conclusions:The BVOCs emission peaked in summer(June,July,and August)and bottomed out in winter(December,January,and February).Chengde contributed the most,followed by Beijing.Platycladus orientalis,Quercus variabilis,Populus tomentosa,Pinus tabulaeformis and Robinia pseudoacacia represent the primary contributors to BVOCs emission and atmospheric reactivity,hence the planting of these species should be reduced.

Evaluation of Pesticide Toxicity and Chemical Compounds Revealed in Soils of Sikasso and Segou (Mali)

The contaminants of the ground are potentially harmful agents and when they are released in this medium, their persistence becomes an important concern. Because of the expressed interest, a certain number of pesticides and important chemicals and their toxicity are described in this article. The studies went on the determination of the concentration, the lethal amount of the organochlorinated compounds, chemical organophosphates, carbamates and compounds. One summer recorded 3 pesticides in 5 samples of the grounds of Sikasso and Segou (Mali). Their concentration varies from 20 (atrazine) with 45 g/kg of ground. The lethal amounts of the revealed poisons variable from 338 for phtalates to 28.710 mg/kg for hexane (alkane) thus evaluate their impact on the food chain. Organophosphates and the carbamates (insecticidal) involve a reduction of 34.2% of the number of Cyprinus carpio of fresh water. The atrazine contaminates drinking water, but the diuron modifies the behavior and the reproduction of fish by deteriorating their system of olfactive perception of natural substances. Important mortalities of birds are noted around the corn fields of Bougouni treated by the carbofuran. The pesticides involve at the man a reduction in fruitfulness, an increase in the risk of miscarriage of premature birth, congenital malformations and cancers.

Changes in Chemical Composition of Soluble Organic Chemical Compounds during Litters Decomposition into Tropical Forest of Milletia laurentii De Wild

Recent publication attested that in the urban forest of Brazzaville, litter decomposition is faster with almost 45% of initial weight loss than in the dry season, where an average loss of 26% in initial litter weight is noted (Ifo et al., 2018). This study was carried out in the urban forest of Brazzaville to follow the decomposition of some organic compounds/secondary metabolites (reducing Sugars, total Flavonoid and Polyphenols) of the leaves litters of two tropical species Antiaris toxicaria Lesch and Millettia laurentii De Wild. Thin-layer chromatography and spectrophotometric assay of these metabolites were used on the samples of litters collected in the field on various dates of follow-up of the decomposition (0 d, 14 d, 28 d, 42 d, 56 d, 72 d and 84 d). The chromatographic profile of initial litters shows a series of spots on yellow florescence materializing presence of flavonoids, green fluorescence revealing the presence of the acids phenols derived from the cinnamic acid. But the chromatographic profile of the two litters in decomposition after two weeks remains without structural information, being able to characterize the decomposition of the chemical families highlighted in the initial litters. Also, the analysis of quantitative total reducing sugar in the initial litters, gives average concentrations of 64.4, 58.6, 57.5 g EG/kg Ms respectively for the litters of Millettia laurentii De Wild, Antiaris toxicaria Lesch and the mixed litters (Millettia laurentii and Antiaris toxicaria). Comparatively with the other types of litters, the initial average concentrations in phenolic compounds (polyphenols and flavonoids totals) were the highest for the litters of Antiaris toxicaria Lesch (27.3 g EAG/kg Ms and 13.07 g EC/kg Ms) (P = 0.001). The losses of organic chemical compounds are more significant during the first two weeks of experiment than after this period. Antiaris toxicaria Lesch loses on average 43.8 g EG/kg Ms of reducing Sugars, 12.21 g EC/kg Ms of totals flavonoids and 26.4 g EAG/kg Ms of total polyphenols, equivalent to 30% of loss of the initial weight. Average losses of 45.7 g EG/kg Ms were obtained for reducing sugars, 1.5 g EC/kg Ms for totals flavonoids and 8.72 g EAG/kg Ms for totally phenols in for the litters of Millettia laurentii, comparable to 24% in initial weight loss. This study showed on the one hand, the direct link between rainfall and litters decomposition and the losses in weight of the litters resulted in dissolution in the water of the studied compounds.

Synthesis, crystal structure and magnetic properties of novel copper compound Cu(phen)(m-CBA)_2

A novel compound Cu（phen）（m-CBA）2 was synthesized with m-chlorobenzoic acid（m-CBA）, 1,10-phenanthroline（phen） and Cu（OAc）2·H2O. It was characterized by IR, UV, elemental analyses and X-ray crystallography. It crystallizes in the monoclinic crystal system with C2/c space group, a=2.9699（4） nm, b=1.15452（2） nm, c=1.5335（2） nm, β=111.118（2）°, V=4.905 1（1） nm3, Z=8, F（000）=2 328, R1=0.072 8, wR2=0.223 4 [I2σ（I）]. Structure analysis shows that the copper center coordinates with two nitrogen atoms from one 1,10-phenanthroline molecule, two oxygen atoms from two m-chlorobenzoic acid molecules, giving a distorted squared planar coordination geometry. This novel compound shows paramagnetic interactions between copper centers.

Crystal growth of Gd_2PdSi_3 intermetallic compound

Gd2PdSi3 single crystals were grown by a vertical floating zone method with radiation heating at a zone traveling rate of 3 mm/h. The compound exhibited congruent melting behavior at a liquidus temperature of about 1700 ＆#176;C. The slightly Pd-depleted composition of the crystal, with respect to the nominal Gd2PdSi3 stoichiometry, led to gradual accumulation of Pd in the traveling zone and to a decreasing operating temperature during the growth process. Thin platelet-like precipitates of a GdSi phase were detected in the stoichiometric feed rod growth crystal matrix which can be reduced by annealing treatment. Feed rod composition shift crystal growth was proved to be a better way of getting high quality of Gd2PdSi3 single crystal.

PREPARATION AND XRD STUDY OF LITHIUM DEFICIENT LiB COMPOUND

The LiB compounds in lithium deficient state were prepared by three methods and its crystal structure was investigated by using XRD. It is found that the lattice constant c of the compound will increase step by step with decreasing Li content from 0.2796nm of the normal LiB to 0.2886, 0.2981 and 0.3118nm of the lithium deficient LiB. The change of the lattice constant is reversible.

Growth of ZnO Single Crystal by Chemical Vapor Transport Method

ZnO crystals were grown by CVT method in closed quartz tube under seeded condition. Carbon was used as a transport agent to enhance the chemical transport of ZnO in the growth process. ZnO single crystals were grown by using GaN/sapphire and GaN/Si wafer as seeds. The property and crystal quality of the ZnO single crystals was studied by photoluminescence spectroscopy and X-ray diffraction technique.

Photoreaction Behaviors of Two Liquid Crystalline Cinnamoyl Compounds with Different Phase in Solution and Mesomorphic States

A novel nelnatic liquid crystal compound containing a cinnamoyl moiety （PCPC） and a typically cholesteric liquid crystal cholesteryl cinnamate （CC） were synthesized to explore the mechanism ofcinnamoyl compounds, and the chemical structures of photodimerization were confirmed by Fourier transform infrared spectroscopy and 1H nuclear magnetic resonance spectral analysis. The photoreaction behaviors of these two cinnamoyl compounds in mesomorphic state and solution were investigated, UV-Vis spectral analysis was used to analyze the photoproduct. The results show that the photochemistry of PCPC in nematic state involves both photodimerization and photoisomerization, while CC shows a complex reaction which can be divided into three parts, and this has enabled us to present new data and interpretations regarding the [2＋2] photocycloaddition reaction. Additionally, the results of UV-Vis spectral analysis in solutions strongly suggest that UV-Vis spectral analysis can be used to study the kinetic behaviors of cinnamoyl moiety photoreaction.

Hydrothermal Synthesis,Crystal Structure and Fluorescence Spectrum Studies of a Supramolecular Compound {[2-(2-Pyridyl)benzimidazoleH_2]^(2+)·[SbCl_5]^(2-)}_2

A new supramolecular compound, { [2-（2-pyridyl）benzimidazoleH2]2＋.[SBC15]2-}2, was synthesized by the hydrothermal reaction of o-diaminobenzene, 2-pyridinecarboxylie acid and SbCl3 in 1：1 HC1 solution, and characterized by chemical analysis, elemental analysis, IR spectra, thermogravimetfic analysis and fluorescence spectra. The crystal structure was deter- mined by X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P211c, with a = 16.0397（13）, b = 14.3189（12）, c = 15.6370（13） A, β = 105.8980（10）°, V = 3454.0（5） A3, Z = 4, C24H22Cl10N6Sb2, Mr = 992.48, Dc = 1.909 g/cm3,/z = 2.366 mm-1, S = 1.010, F（000） = 1920, R = 0.0254 and wR = 0.0555. The coordination anion, [SbCl5]2- which is a distorted tetragonal pyramid, is composed by coordinating action with Sb3＋ ion and five adjacent chloride ions. Every four coordination anions of [SbCl5]2- form a biquaternion ring structure through the secondary bonding of Sb...Cl. Moreover, the compound adopts a three-dimensional network supramolecular structure because of the hydrogen bonds and π-π stacking between the rings and the 2-（2-pyridyl）benzimidazole divalent cations. The title compound also shows good fluorescent behaviors.

Chemical Defense of Soft Coral Sinularia polydactyla from the Red Sea Against Marine Biofilm-Forming Bacteria

Soft corals are an important group of organisms that live in reef ecosystems. In this study, the chemical defense of soft coral Sinularia polydactyla against biofilm-forming bacteria was assessed. The soft coral S. polydactyla was collected from the Obhur creek of the Red Sea and the bioactive compounds were extracted under different conditions using methanol and hexane as solvents. Results revealed that the bioactive compounds produced by the soft coral S. polydactyla were active against the growth, hydrophobicity and extracellular polymeric substances production of the biofilm-forming bacteria. However, the damage or injury in soft coral tissue caused a decrease in the activity against biofilm-forming bacteria. GC-MS analysis revealed that sesquiterpenes were abundant in normal coral sample extract while cembranoids were abundant in damaged coral sample extracts. In general, the results indicated that the soft corals either under stress or with damage may not have a strong chemical defense against the colonizing marine organisms and competitors.

A Reflectron Time-of-Flight Mass Spectrometer with a Nano-Electrospray Ionization Source for Study of Metal Cluster Compounds

An experiment facility has been set up for the study of metal cluster compounds in our laboratory, which consists of a nano-electrospray ionization source, an ion transmission and focus system, and a reflectron time-of-fight mass spectrometer. Taking advantage of the nano-electrospray ionization source, polyvalent ions are usually produced in the ＂ionization＂ process and the obtained mass resolution of the equipment is over 8000. The molecular ion peaks of metal cluster compounds [Au20（PPhpy2）10Cl2]（SbF6）4, where PPhpy2=bis（2- pyridyl）phenylphosphine, and [AuaAg2（C）L6]（BF4）4, where L=2-（diphenylphosphino）-5- methylpyridine, are distinguished in the respective mass spectrum, accompanied by some fragment ion peaks. In addition, the mass-to-charge ratios of the parent ions are determi- nated. Preliminary results suggest that the device is a powerful tool for the study of metal cluster compounds. It turns out that the information obtained by the instrumentation serves as an essential supplement to single crystal X-ray diffraction for structure characterization of metal cluster compounds.