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1.
A novel complex, chlorodi(p-chlorbenzyl)tin dithiotetrahydropyrrolocarbamate, has been synthesized. The crystal structure has been determined by X-ray single crystal diffraction. The crystal of the complex belongs to monoclinic with space group C2/c, a=3.070 0(19) nm, b=0.787 9(5) nm, c=2.374 9(15) nm, β=119.63(9) °, Z=8, V=4.993(5) nm3, Dc=1.515 g·cm-3, μ=1.521 mm-1, R1=0.047 4, wR2=0.097 2. The structure of the complex consists of discrete molecule containing five-coordinate tin atom in a seriously distorted trigonal bipyramidal configuration. The molecules are packed in the unit cell in one-dimensional chain polymer through a weak interaction between the chlorine atoms of the adjacent molecules. CCDC: 220743. 相似文献
2.
The novel dibenzyltin bis(2-quininate) has been synthesized. The crystal structure of the complex was determined by X-ray diffraction. The crystal belongs to monoclinic space group P21/c with a=1.840 05(14) nm, b=2.353 66(18) nm, c=2.044 31(16) nm, β=99.3130(10)°, V=8.736 9(12) nm3, Z=4, Dc=1.507 g·cm-3, μ(Mo Kα)=9.21 cm-1, F(000)=4 016, R1=0.041 4, wR=0.082 1. In this compound, the tin atom rendered six-coordinated in a distorted octahedron geometry. The study on title complex has been performed, with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stabilities of the complex, the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated. CCDC: 609510. 相似文献
3.
二茂铁甲酸(三邻氯苄基)锡配合物的合成、结构和量子化学研究 总被引:1,自引:0,他引:1
The novel complex tri(o-chlorobenzyl)tin ferrocenecarboxylate have been synthesized.The crystal structure of the complex has been determined by X-ray diffraction.The crystal belong to orthorhombic with space group Pbca with a=0.1242(5), b=1.7242(7), c=3.0583(13)nm, V=5.928(4)nm3,Z=8, Dc=1.623g·cm-3,μ(MoKα)= 0.1631cm-1,F(000)=2896,R1=0.0461,wR2=0.0931. The bond lengths of Sn-C is 0.2148(4), 0.2152(6) and 0.2176(5)nm, respectively. The Sn-O is 0.2073(4)nm. The tin atom has a distorted tetrahedral geometry. The study on title complex has been performed,with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stability of the complex, some frontier molecular orbital energies, the populations of the atomic net charges in complex and composition characteristics of some frontier molecular orbitals have been investigated. CCDC: 184267. 相似文献
4.
二苄基锡双(四氢吡咯荒酸酯)的合成、表征和晶体结构 总被引:1,自引:0,他引:1
Dibenzyltin bis(dithiotetrahydropyrrolocarbamate) was synthesized by the reaction of dibenzyltin dichloride with dithiotetrahydropyrrolocarbamate. The compound was characterized by elemental analysis, IR, 1H NMR and MS. and the crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to or-thorhombic with space group Pccn, a=2.1665(6)nm, b=0.9932(3)nm, c=1.1979(3)nm,α=90°,β=90°,γ=90°,Z=2,V=2.5777(12)nm3,Dc=1.529g·cm-3,μ(MoKα)=1.330mm-1,F(000)=1208,R1=0.0341, wR2=0.0627. In the crystals, the structures consist of discrete molecules in which the tin atom is six-coordinate in a distorted octahedron configuration. CCDC: 179919. 相似文献
5.
The novel di(o-fluorobenzyl)tin bis(2-quininate) has been synthesized. The crystal structures of the complex was determined by X-ray diffraction. The crystal belongs to triclinic space group
P1 with a=0.770 8(2) nm, b=0.951 9(3) nm, c=1.108 4(3) nm, α=78.260(5)°, β=70.179(4)°, γ=68.594(4)°, V=0.709 4(4)
nm3, Z=1, Dc=1.595 g·cm-3, μ(Mo Kα)=9.57 cm-1, F(000)=342,
R1=0.021 7, wR=0.056 6. The bond length Sn-C is 0.216 9(2) nm,The Sn-O is 0.217 64(15) nm, The Sn-N is 0.233 89(16) nm.This compound is monomeric, with six-coordinated tin atom in a distorted octahedron geometry. The study on title complex has been performed, with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stabilities of the complex, the orbital energies and characteristics of some frontier molecular orbitals have been investigated. CCDC: 286107. 相似文献
6.
In ethanol, a new mononuclear nickel(Ⅱ) complex incorporating Schiff base ligands, [NiL2](DMF)4 (HL=2′-(4-fluorobenzylidene)-3,5-dihydroxybenzoylhy drazide) has been synthesized and characterized by IR, UV-Vis, elemental analysis and X-ray crystal structure analysis. The single crystal structure has been determined by single-crystal X-ray diffraction structure analysis. The crystal belongs to monoclinic system, space group P21/c with a=1.617 3(2) nm,b=1.798 5(2) nm, c=0.737 61(10) nm, β=91.953(3)°, V=2.144 3(5) nm3, Z=2, μ=0.526 mm-1, Dc=1.390 g·cm-3, F(000)=940, Rint=0.105 3. In the compound nickel(Ⅱ) atom is four-coordinated with two nitrogen atoms from amide and two oxygen atoms from keto group. The complex has the centrosymmetry and the nickel(Ⅱ) ion is located in the center. CCDC: 675522. 相似文献
7.
The title compound {[(p-MeC6H4CH2)2Sn]2(O)(Cl)OC2H5}2 was synthesized by the reaction of bis(p-met-hylbenzyl)tin dichloride with KOH in ethanol. The crystal structure of the complex has been determined by X- ray diffraction. The crystal belongs to monoclinic, space group P21/c with a=1.114 0(19) nm, b=2.423 1(3) nm, c=2.521 1(3) nm, β=99.398(3)°, V=6.714(16) nm3, Z=4, Dc=1.493 g·cm-3, μ(Mo Kα)=15.94 cm-1, F(000)=3 024, R1=0.049 9, wR=0.101 7. The crystal structure shows that the coordination geometry of tin is a distorted trigonal bipyramid, and the ladder-like structure is shaped by three Sn2O2 planar four-membered rings. CCDC: 639682. 相似文献
8.
The tri(o-chlorobenzyl)tin ester of 2-indolylcarboxylic acid has been synthesized and characterized by elemental analysis, IR and 1H NMR. The crystal structure has been determined by X-ray single crystal diffraction. The crystal belongs to triclinic with space group P1, a=1.020 0(16) nm, b=1.125 9(18) nm, c=1.321(2) nm, α=83.10(2)°, β=67.597(18)°, γ=84.83(2)°, Z=2, V=1.391(4) nm3, Dx=1.565 Mg·m-3, μ=1.235 mm-1, F(000)=656, R=0.049 2, wR=0.131 4. In this compound, the central tin atom is rendered four-coordinated in a tetrahedral structure. The resulting structure is a monomer containing Sn-O bond length of 0.205 4(4) nm. CCDC: 236286. 相似文献
9.
The title compound, {[n-Bu2Sn(O2CCH2CS2NC4H8)]2O}2, has been synthesized by the reaction of (tetrahydro-pyrrodithiolocarbamoylthio)acetic acid with the di-n-bubyltin oxide in 1∶1 molar ratio. The complex has been characterized by elemental analysis, IR and NMR. The crystal structure of it has been determined by X-ray single crystal diffraction. And the results showed that the crystal belongs to triclinic system with space group P1 and some crystal parameters: a=1.220 2(9) nm, b=1.315 8(10) nm, c=1.380 4(10) nm, α=111.215(9)°, β=99.357(9)°, γ=96.075(10)°, V=2.006(2) nm3, Z=1, F(000)=908, μ=1.489 mm-1, Dc=1.474 g·cm-3, R1=0.037 5, wR2=0.0839. The complex has a centrosymmetric dimer structure mode with a four-membered central endo-cyclic Sn2O2 unit in which two bridged oxygen atoms both connect with an exo-cyclic tin atom which has a distorted octahedron. Each of the endo-cyclic tin atoms exhibits a distorted trigonal bipyramid coordination geometry with an additional weak coordination carboxylate oxygen. Four carboxylate ligands are divided into two types. And two of them are bidentate and connecting to each of exo-cyclic tin atoms by using both oxygen atoms, whereas the others bridge to each pair of exo-and endo-cyclic tin atoms utilizing one oxygen atom only. CCDC: 220513. 相似文献
10.
μ-氧-双{三[邻氯(氟)苄基]锡}的合成、结构和量子化学研究 总被引:2,自引:0,他引:2
The tri(o-chlorobenzyl)tin chloride as well as the tri(o-fluorobenzyl)tin was treated with aqueous solution of NaOH to formed the μ-oxygen-bis[tri(o-chlorobenzyl)tin] and μ-oxygen-bis[tri(o-fluorobenzyl)tin], respectively. The crystal and molecular structures of compound were determined by X-ray diffraction. The crystal(1) belongs to triclinic space group P1 with a=1.0195(5), b=1.0951(6), c=1.0986(6)nm, α=118.250(7), β=104.923(7), γ=99.534(8)°, V=0.9827(9)nm3,Z=1, Dx=1.701g·cm-3, μ(MoKα)=17.12cm-1, F(000)=498, R1=0.0680, wR2=0.13014. The crystal(2) are triclinic, space group P1 with a=0.9635(3), b=1.0797(4), c=1.0852(3)nm, α =105.807(5), β=90.551(6), γ=116.382(5)°, V=0.9619(6)nm3, Z=2, Dx=1.595g·cm-3, μ(MoKα)=13.62cm-1, F(000)=458, R1=0.0268, wR2=0.0674. The bond lengths of Sn-C is 0.2128(9)~2.162(12)nm and 0.2155(4)~0.2162(3)nm, and the Sn-O is 0.1901nm and 0.19166(6)nm, respectively. The bond angle Sn-O-Sn is 180.0(0)°. The tin atom has a distorted tetrahedral geometry. The composition characteristics of some frontier molecular orbitals have been investigated by means of G98W package and taking Lanl2dz basis set. (1) CCDC:184751,(2) CCDC:187572. 相似文献
11.
Physico-chemical properties of Chitosan films 总被引:1,自引:0,他引:1
Luminita Balau Gabriela Lisa M. I. Popa V. Tura V. Melnig 《Central European Journal of Chemistry》2004,2(4):638-647
Chitosan films obtained by dry phase inversion were prepared from an aqueous solution of chitosan in acetic acid. The films,
of thickness less than 20 μm, were transparent, very flexible and had smooth surfaces. Increasing the film thickness induced
an increase of the internal tensions and the consequent formation of a rough surface. Structural investigations by X-ray diffraction
and Fourier transform IR analysis, showed that the chitosan films, as prepared, are amorphous. Further annealing to evaporate
acetic acid and water traces, changed the amorphous phase into a more ordered phase, characterized by diffraction peaks at
2θ values of 9, 17, 20 and 23 degrees. Thermal investigations by TG, DTG, and DTA revealed that the decomposition of the chitosan
films as prepared proceeds in two stages, starting from 180°C and 540°C. 相似文献
12.
Pyrazoles as molecular probes to study the properties of co-crystals by solid state NMR spectroscopy
Concepción López Rosa M. Claramunt M. Ángeles García José Elguero 《Central European Journal of Chemistry》2004,2(4):660-671
Equimolar mixtures of 3,5-dimethylpyrazole (1) with four NH-imidazoles (2–5) have been studied by13C and 15N CPMAS NMR and by DSC. In three cases, the solid mixture behaves as the sum of the individual components [imidazole (2), 2-methylimidazole (3) and 2,4(5)-dimethylimidazole (5)]. In one case [4,5-dimethylimidazole (4)], the mixture corresponds to a new species in which the dynamic behavior of1 no longer exists. 相似文献
13.
Jinzhang Gao Yongjun Liu Wu Yang Lumei Pu Jie Yu Quanfang Lu 《Central European Journal of Chemistry》2005,3(3):377-386
A plasma induced degradation process has been studied to treat 4-nitrotoluene (4-NT) present as an aqueous pollutant. The
plasma was locally generated from a glow discharge around a tip of a platinum anode in an electrolytic solution. The influence
of initial pH and Fe2+ on the degradation was examined. Major intermediates resulting from the degradation process were identified. Amongst the
aromatic intermediates, p-hydroxybenzoic acid was the predominant degradation product. The formation of oxalic acid, malic
acid was also observed. The final products of degradation were NH
4
+
, NO
3
−
and CO2. Based on the analysis of intermediates and the kinetic considerations, the degradation was shown to follow a pseudo-first
order reaction hence, a possible reaction pathway was proposed. 相似文献
14.
An attempt was made to study the oxidation of manganese by air in synthetic waters. A series of batch experments were performed
at differnet values of concentration, temperature and pH. Unoxidized manganese in the solution was determined by formaldoxime
spectrometric method. Results of these studies indicated that the air oxidation of manganese soluble in water can be effectively
performed in basic media and that oxidation yield increasedwith an increase in pH and concentration. The yield was very high
in the presence of manganese dioxide, sepiolite or clinoptilolite in solution and, the oxidation was almost completed especially
at high values of pH and concentration. The reaction was found to be first order with respect to Mn2+ with a very low activation energy. A yield of 62% was obtained for the air oxidation of wastewater taken from the treatment
plant of Corum Municipality. 相似文献
15.
Friedrich Asinger Alfons Saus Magdalena von Wachtendonk 《Monatshefte für Chemie / Chemical Monthly》1980,111(2):385-398
Thiomorpholine as well as alkyl substituted thiomorpholines and their Sdioxides, respectively, are transformed into the corresponding N-Aminothiomorpholines by nitrosation (1–5) followed by the reduction with zinc in acetic acid/acetic acid anhydride under simultaneous formation of the corresponding N-acetyl derivates, and hydrolysis by hydrochloric acid (6–9). Examples of this method are described. 4-Aminothiomorpholines and their Sdioxides react with aldehydes or ketones to give azomethines (10–31). Acylation with mono-and dicarbonic acid chlorides leads to the N-acyl derivatives32–44.Mannich condensation is also possible. By oxidation with yellow mercury oxide tetracenes are formed (46–47).
Teil der DissertationM. Schmitz, Techn. Hochschule Aachen, 1975. 相似文献
16.
Heinz Falk Günther Höllbacher Otmar Hofer Norbert Müller 《Monatshefte für Chemie / Chemical Monthly》1981,112(3):391-403
A force field model was designed with respect to the special needs of bile pigments. It is parametrized and tested using partial structures of bile pigments as well as an integral pigment; the solution structures of the molecules were previously deduced using independent experimental methods.
38. Mitt::Falk, H., Schlederer, T., Wolshann, P., Mh. Chem.112, 199 (1981). 相似文献
17.
Hansjörg Meyer Hanskarl Müller-Buschbaum 《Monatshefte für Chemie / Chemical Monthly》1981,112(1):51-57
Solid state reaction of CuO and Al2O3 with a flux of PbO about 930°C and reaction time of 8d gives the new compound Cu2Al4O7. The red single crystals were examined by energydispersive microanalysis and X-ray diffraction methods. Cu2Al4O7 has cubic symmetry, space group
,a=908.0 pm. The typical coordination of Cu+ (CN=6 and CN=12) and the interstitial arrangement of the AlO4-tetrahedra are discussed with respect to related compounds. 相似文献
18.
H. S. Singh V. P. Singh B. S. Arya G. R. Varma 《Monatshefte für Chemie / Chemical Monthly》1981,112(11):1253-1260
Kinetics of oxidation of xylitol and galactitol by hexacyanoferrate(III) ion in aqueous alkaline medium is reported. The reaction rate is of first order with respect to hexacyanoferrate(III) in each substrate. The reaction is first order at lower concentrations of xylitol and galactitol and tends towards zero order as the concentration increases. Similarly first order kinetics was obtained with respect to hydroxide ion at lower concentrations and tends to lower order at higher concentration in the oxidation of xylitol; in the oxidation of galactitol the reaction is first order with respect to hydroxide ion even up to manyfold variation. The course of reaction has been considered to proceed through the formation of an activated complex between [K Fe(CN)6]2– and substrate anion which decomposes slowly into radical and [K Fe(CN)6]3–. A probable reaction mechanism is proposed.
Kinetik und Mechanismus der Oxidation von Xylit und Galaktit mit Hexacyanoferrat(III) in wäßriger, alkalischer Lösung
Zusammenfassung Das Geschwindigkeitsgesetz der Titelreaktion ist in beiden Fällen erster Ordnung bezüglich Hexacyanoferrat(III). Die Oxidation ist erster Ordnung bei niedrigen Konzentrationen von Xylit und Galaktit und geht bei Erhöhung der Konzentration gegen null. In gleicher Weise wurde eine Kinetik erster Ordnung bezüglich Hydroxyl bei niedrigen Konzentrationen und eine erniedrigte Ordnung bei höheren Konzentrationen für die Oxidation von Xylit beobachtet; bei Galaktit bleibt die Oxidation auch bei höheren Hydroxyl-Konzentrationen erster Ordnung. Es wird angenommen, daß die Reaktion über einen aktivierten Komplex zwischen [KFe(CN)6]2– und dem Substrat-Anion verläuft; dieser Komplex zerfällt in [KFe(CN)6]3– und ein Substrat-Radikal. Ein möglicher Reaktionsmechanismus wird vorgeschlagen.相似文献
19.
Titus Constantinescu Petre Ionita Ion Chiorescu Gabriela Ionita 《Central European Journal of Chemistry》2003,1(4):465-476
Ten novel and stable free radicals of nitronyl-, imino-nitroxide and hydrazyl type compounds were synthesized and their physico-chemical
properties investigated. UV-Vis and ESR spectroscopic data, as well as the lipophilicities and specific hydrophobic areas
of the compounds are compiled. The reaction of these radical compounds with nitric oxide and nitrogen dioxide was also investigated.
The radicals synthesized, show selectivity in their reaction with these nitric oxides, depending on their structure (nitronyl-nitroxide
radicals react with NO, while hydrazyl radicals react with NO2). The processes are easily monitored by UV-Vis or ESR spectroscopy. 相似文献
20.
Claudia Mureşanu Lucian Copolovici Florina Pogącean 《Central European Journal of Chemistry》2005,3(4):592-604
The inhibitory effect of para-nitrophenol on the catalytic reaction of catalase was investigated. Michaelis-Menten kinetic parameters were determined from
Lineweaver-Burk plots obtained in the absence or in the presence of the inhibitor. The inhibitor pattern, revealed by the
Lineweaver-Burk plots, suggested a fully mixed inhibition mechanism. Spectrophotometric monitoring of the indicator reaction:
in conjunction with initial rate measurements was employed for the kinetic determination of the inhibitor. Calibration plots
of initial rate vs. para-nitrophenol concentration were linear in the concentration range 0.9·10−5–2.5·10−5 mol/L and the detection limit was 3·10−6 mol/L (417 μg/L) para-nitrophenol. Interferences from other phenolic compounds like orto-cresole, meta-and orto-nitrophenol were observed. 相似文献