Extracurricular laboratory:new discovery of Cuprous thiocyanate

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Tuning chemistry of CuSCN to enhance the performance of TiO 2/N719/CuSCN all-solid-state dye-sensitized solar cell

CuSCN with enhanced p-type conductivity was prepared by replacing some of the cuprous sites by triethylamine coordinated Cu(i) with concomitant (SCN) 2 doping to introduce more holes. A compound Cu5[(C 2H5)3N]3(SCN)11 was isolated and well characterized. A 41% enhancement of energy conversion efficiency of the TiO2/N719/modified CuSCN cell from the best reported value and more than a factor of ten from bare CuSCN was achieved.

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Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

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Copper halide clusters and polymers supported by bipodal heteroelemental ligands

The flexible, multi dentate, heteroelemental, dipodal ligands; bis(2pyridylthio)methane, (PyS)2CH2 (Py = pyridyl = C5H4N), (PymS)2CH2, bis(2pyrimidylthio)methane, and bipyrimidyldisulfide, (PymS)2 (Pym = pyrimidine, C4H3N2), were reacted with a series of copper precursors to determine whether monomeric compounds, cubane clusters or polymeric chains would be obtained. Copper(II) chloride, copper(I) cyanide and copper(I) thiocyanate afforded infinite polymeric chains while copper(I) iodide afforded tetranuclear clusters supported by two ligand molecules. All products were characterized in the solid-state by X-ray crystallography.

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Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

Archives for Chemistry Experiments of 1111-67-7

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Investigation of structure-directing interactions within copper(i) thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach

Herein, we reported the synthesis of copper(i) thiocyanate complexes with ortho-pyridinyl carbohydrazones containing a thiophene (L1) or a furyl ring (L2) as a mixture of two different crystals for each compound, linkage isomers of C1N, [Cu(NCS)(L1)PPh3] and C1S, [Cu(SCN)(L1)PPh3], for L1, whereas monomeric and polymeric structures C2N, [Cu(NCS)(L2)PPh3], and C2P, [-(NCS)Cu(L2)-]n, for L2. Crystallographic information and theoretical calculations, mainly noncovalent interaction reduced density gradient (NCI-RDG) analyses, were pursued to generate a profound understanding of the structure-directing interactions in these complexes. The supramolecular assemblies are first driven by cooperative pi?pi interactions and hydrogen bonds followed by CH?pi, S?S and S?pi linkages. In the case of the linkage isomers, intermolecular interactions may have a significant role in the formation of the less stable S-bound isomer C1S.

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Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

More research is needed about 13395-16-9

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Structure of bis[ethyl (trifluoroacetyl)acetato]copper(II) and its adduct with 4-(dimethylamino)pyridine: EPR and X-ray study

Bis[ethyl (trifluoroacetyl)acetato]copper(II), [Cu(etfac)2], has been prepared and studied by X-ray crystallography and EPR spectroscopy. The complex is centrosymmetrical and crystallizes in the P21/c space group with two formula units per unit cell. After dissolving of the complex in solid matrix or in suitable solvents some changes are detected in the EPR spectra and are discussed. The EPR spectra of the complex magnetically diluted in the corresponding Pd(II) complex reveal the presence of only one paramagnetic species further denoted as B. However, EPR spectra measured in solution indicate the presence of two different paramagnetic species: (i) non-distorted parent species B, and (ii) rhombic-distorted species A, which prevail in solutions. The A:B species ratio is a function of the solvent and temperature. The [Cu(etfac)2] adduct with 4-(dimethylamino)pyridine has also been studied and found to crystallize in the C2/c space group. The adduct EPR spectrum monitored in solution shows the presence of only one paramagnetic species.

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Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

A new application about Cuprous thiocyanate

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REACTION OF OLEFINS WITH A MIXTURE OF IODINE AND MERCURY(II) THIOCYANATE. PREDOMINANT FORMATION OF vic-IODO(ISOTHIOCYANATO)ALKANES.

Treatment of olefins with a mixture of iodine and mercury(II) thiocyanate in benzene or diethyl ether gives vic-iodo(isothiocyanato)alkanes and vic-iodo(thiocyanato)alkanes in a high yield, the former being predominant. Similar results were obtained by using silver(I) and thallium(I) thiocyanates, though both the yield and the selectivity are slightly lower. By use of potassium thiocyanate and copper(I) isothiocyanate in place of mercury(II) thiocyanate, beta -iodo thiocyanates were mainly formed. A reaction scheme involving initial formation of an iodonium ion from olefin and ISCN (formed in situ) and a subsequent attack of complex anion I(SCN)//2** minus has been proposed to account for this predominant formation of beta -iodo isothiocyanates.

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Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

Awesome and Easy Science Experiments about 1111-67-7

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Seven copper (I) complexes of diphosphine ligands and N^N ligands: Syntheses, structural characterizations and spectroscopic properties

The reactions of diphosphine ligands and nitrogen-containing ligands with Cu(I) salts in the mixed solvents of methanol (MeOH) and dichloromethane (CH2Cl2) generated the corresponding complexes, {[Cu(dppbe)(Bphen)](ClO4)¡¤2CH3OH}n (1), {[Cu2(dppe)(dmp)2(CN)2]¡¤2CH3OH}n (2), {[Cu2(dppb)(dmp)2I2]¡¤2CH3OH}n (3), [Cu(POP)(C16H6N6)]I (4), {[Cu(POP)(C16H6N6)](SCN)}n (5), [Cu(xantphos)(bpy)](ClO4) (6) and {[Cu(xantphos)(bpy)](CF3SO3)}n (7) {dppbe = 1,2-bis(diphenylphosphanyl)benzene, dppe = 1,2-bis(diphenylphosphino)ethane; dppb = 1,4-bis(diphenylphosphino)butane, POP = bis[2-(diphenylphosphino)phenyl]ether, xantphos = 4,5-bis (diphenylphosphio)-9,9-dimethylxanthene, Bphen = 4,7-diphenyl-1,10-phenanthroline, dmp = 2,9-dimethyl-1,10-phenanthroline, C16H6N6 = [2,3-f]-pyrazino-[1,10]phenanthroline-2,3-dicarbonitrile, bpy = 2,2?-bipyridine}. These complexes were all characterized by single-crystal X-ray crystallography, elemental analysis, IR, 1H NMR spectroscopy, luminescence and THz spectroscopy. Complexes 1 and 2 consist of 1D infinite zigzag chain structures which are linked by hydrogen bonds, while complexes 3, 5 and 7 have 2D topological architectures which are connected by hydrogen bonds, complex 4 has an annular structure and complex 6 is a mononuclear structure. The types of hydrogen bonds, choice of solvents and coordination modes of the ligands are of importance in defining the structural and topological features of the resulting networks. Furthermore, complexes 1?7 exhibit interesting luminescence in the solid state at room temperature. Complexes 1?3 can act as yellow luminophores, complex 4 acts as a red luminophore, complex 5 acts as an orange luminophore and complexes 6?7 act as green luminophores. Their terahertz spectra show more accurate characteristics of their structures.

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Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

Awesome and Easy Science Experiments about Cuprous thiocyanate

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Synthesis, characterization, and X-ray crystal structures of copper(I) halide and pseudohalide complexes with 2-(2-quinolyl)benzothiazole. Diverse coordination geometries and electrochemical properties

Three new copper(I) complexes with the ligand 2-(2-quinolyl)benzothiazole (qbtz) have been synthesized and characterized by elemental analyses, infrared, and ultraviolet?visible spectroscopy, and their crystal structures have been determined by X-ray diffraction. The coordination geometry around copper in [Cu(qbtz)(mu-I)]2, complex (1), a centrosymmetric dimer, is a distorted CuI2N2 tetrahedron supplemented by a short Cu?Cu interaction of 2.5855 A. The copper(I) cyanide?bridged complex [Cu3(qbtz)2(mu-CN)3] (2) exhibits a one-dimensional chain structure with three crystallographically independent Cu atoms. Two of the copper atoms feature tetrahedral four coordination each by a chelating qbtz ligand and two CN groups, and the third features a quasi-linear two-coordination geometry by two CN. In [Cu(qbtz)(mu-SCN)] (3), copper is in a distorted tetrahedral coordination by two N atoms of a chelating qbtz ligand and by one N atom and one S atom of a bridging SCN group. The complex exhibits a one-dimensional zigzag chain structure with two crystallographically inequivalent Cu atoms in the chain. The spectroscopic and electrochemical properties of compounds 1?3 are in accord with the variation in copper(I) coordination environments.

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Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

Extracurricular laboratory:new discovery of 1317-39-1

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Let¡¯s face it, organic chemistry can seem difficult to learn. category: copper-catalyst. Especially from a beginner¡¯s point of view. Like category: copper-catalyst, Name is Copper(I) oxide. In a document type is Patent, introducing its new discovery.

Benzothiophene compounds, intermediates, compositions, and methods

The present invention provides a method for inhibiting endometriosis comprising administering to a woman an effective amount of a compound of formula I STR1 wherein R1a is –H or –OR7a in which R7a is –H or a hydroxy protecting group; R2a is –H, halo, or –OR8a in which R8a is –H or a hydroxy protecting group; R3 is 1-piperidinyl, 1-pyrrolidino, methyl-1-pyrrolidinyl, dimethyl-1-pyrrolidino, 4-morpholino, dimethylamino, diethylamino, diisopropylamino, or 1-hexamethyleneimino; n is 2 or 3; and Z is –O– or –S–; or a pharmaceutically acceptable salt thereof.

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Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

Awesome and Easy Science Experiments about Copper(I) oxide

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Chemistry is an experimental science, and the best way to enjoy it and learn about it is performing experiments. Computed Properties of Cu2O. Introducing a new discovery about 1317-39-1, Name is Copper(I) oxide

Theoretical studies on the electronic states of electron-doped copper oxides

The infinite layer copper oxides denoted as ACuO2, where A stands for the alkaline earth metal such as strontium or calcium, have attracted much attention in relation to high-temperature (Tc) superconductivity. Superconductivities of these species are achieved by several chemical doping such as hole-doping (h-doping) and electron-doping (e-doping). In this study, we have performed hybrid-density functional theory calculations, which are available in the strongly correlated systems such as transition metal complexes, in order to examine the electronic states after one e-doping for the linear chain clusters such as CuOCu and Cu3O2. The electronic states have been clarified from view points of energy, spin and charge density populations, natural orbital analysis and the difference of density. As the hole-doped electronic states have already been examined for the same clusters by the same methods in our previous work, we discuss the differences of the changes of electronic states between h-doping and e-doping.

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Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

A new application about 1111-67-7

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Copper catalysed oxidation of thiosulfate by oxygen in gold leach solutions

The environmental and public concern over the continued use of cyanide in the recovery of gold has grown in recent times due to a number of recently publicised environmental incidents. Of the alternative lixiviants, thiosulfate appears to be the most promising, though the considerable amount of research conducted on thiosulfate leaching of gold over the last three decades has not resulted in its commercial introduction. Perhaps the largest contributing factor to this is the poor understanding of the thiosulfate leach solution chemistry, especially the oxidation of thiosulfate in the presence of copper(II) and oxygen. It has been shown in this research that the oxidation of thiosulfate in the presence of copper(II) and oxygen is very complex with the rates of copper(II) reduction and thiosulfate oxidation being significantly faster in the presence of oxygen. The higher initial rate of copper(II) reduction indicated that oxygen increases the rate of copper(II) reduction to copper(I) by thiosulfate, though the mechanism for this remains unclear. The rates of thiosulfate oxidation and copper(II) reduction were also shown to be affected differently by the presence of anions. This is consistent with thiosulfate oxidation occurring via two mechanisms, with one of these mechanisms involving the oxidation of thiosulfate by copper(II) and the other involving the oxidation of thiosulfate by the intermediate superoxide and hydroxide radicals formed as a result of copper(I) oxidation by oxygen. The effect of various parameters on the rate of thiosulfate oxidation and the copper(II) concentration are also shown.

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Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”