Extracurricular laboratory:new discovery of Cuprous thiocyanate

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Because a catalyst decreases the height of the energy barrier, Application In Synthesis of Cuprous thiocyanate, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.Application In Synthesis of Cuprous thiocyanate, Name is Cuprous thiocyanate, molecular formula is CCuNS. In a article,once mentioned of Application In Synthesis of Cuprous thiocyanate

Reactions of (NH4)2MS4 or (NH4)MOS3 (M = Mo, W) with CuSCN and the closo carborane diphosphine 1,2-(PPh2)2-1,2-C2B10H10 in CH2Cl2 yielded five heterobimetallic trinuclear Mo(W)-Cu-S clusters with the formula Cu2MS4L2 (M = Mo(1), W(3), L = 1,2-(PPh2)2-1,2-C2B10H10), Cu2MoS4L2 · CH2Cl2 (2) and Cu2MOS3L2 (M = Mo(4),W(5)). All the clusters have been characterized by elemental analysis, FT-IR, UV/Visible, 1H and 13C NMR spectroscopy and X-ray structure determination. X-ray crystal structure analysis showed that the metal skeleton of these clusters could be classified into two types. With (NH4)2MS4 (M = Mo, W), the three metal atoms (two Cu atoms and one M atom (M = Mo, W)) are almost in a linear conformation, while with (NH4)2MOS3 the conformation of the heterobimetallic trinuclear cluster core was a butterfly-shaped (or referenced as defective cubane-like with two corners missing). The coordination sphere of the metal atoms in all the clusters, either for Cu or M, should be described as a distorted tetrahedron. For each cluster, the closo carborane diphosphine ligand 1,2-(PPh2)2-1,2-C2B10H10 was introduced into the Cu2MS4 or Cu2MOS3 cluster cores and coordinated bidentately through the P atoms to Cu(I), and this resulted in a stable five-member chelating ring between the bis-diphosphine ligand and the metal.

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

 

Archives for Chemistry Experiments of Bis(acetylacetone)copper

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Several compounds have been isolated from the reaction between different copper bis(acetylacetonato) derivatives and the potentially bridging ligand 2,3-bis(2-pyridyl)pyrazine (bppz). A compound of formula [Cu(tfacac) 2(bppz)] (1) is obtained when the substituted trifluoromethylacetylacetonato is used. The use of different anions and the unsubstituted acetylacetonato give rise to new derivatives of general formula [{Cu(acac))2(mu-bppz)2]X2 (X– BF4-, 2; PF6-, 3; BPh 4-, 4). In these compounds the bppz ligand is acting as a bridge by chelating one copper atom and bonding monodentate a second copper atom. The presence of anions with different coordination abilities introduces variations in the copper environment and geometry. When the non-coordinating tetraphenylborate is used different compounds depending on the nature of the solvent are obtained. The dimer 4 was isolated from a methanol/chloroform mixture, while in the absence of chloroform the monomeric compound of formula [Cu(acac)(bppz)(ROH)](BPh4)-ROH (ROH=MeOH, 5) was obtained. When ethanol was used instead of methanol the analogous derivative 6 (R=EtOH) was isolated. Both species show a mononuclear structure with the copper atom five-coordinated by the chelating acac and bppz ligands and one hydroxo group occupying the apical position. A similar environment for the copper appears in [Cu(tfacac)(bppz)(MeOH)](BPh4), 7, which shows a dimeric structure through hydrogen bonds interactions. The magnetic susceptibility data of the dimeric compounds show very weak antiferromagnetic interactions between the copper atoms, an expected fact since the bridging bppz ligand is not planar but the monodentate pyridine is more or less perpendicular to the other two aromatic rings, precluding the spin exchange via the it ligand electrons.

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

 

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Application of 1111-67-7, In an article, published in an article,authors is Chakkaradhari, Gomathy, once mentioned the application of Application of 1111-67-7, Name is Cuprous thiocyanate,molecular formula is CCuNS, is a conventional compound. this article was the specific content is as follows.

The series of chelating phosphine ligands, which contain bidentate P2 (bis[(2-diphenylphosphino)phenyl] ether, DPEphos; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene, Xantphos; 1,2-bis(diphenylphosphino)benzene, dppb), tridentate P3 (bis(2-diphenylphosphinophenyl)phenylphosphine), and tetradentate P4 (tris(2-diphenylphosphino)phenylphosphine) ligands, was used for the preparation of the corresponding dinuclear [M(mu2-SCN)P2]2 (M = Cu, 1, 3, 5; M = Ag, 2, 4, 6) and mononuclear [CuNCS(P3/P4)] (7, 9) and [AgSCN(P3/P4)] (8, 10) complexes. The reactions of P4 with silver salts in a 1:2 molar ratio produce tetranuclear clusters [Ag2(mu3-SCN)(t-SCN)(P4)]2 (11) and [Ag2(mu3-SCN)(P4)]22+ (12). Complexes 7-11 bearing terminally coordinated SCN ligands were efficiently converted into derivatives 13-17 with the weakly coordinating -SCN:B(C6F5)3 isothiocyanatoborate ligand. Compounds 1 and 5-17 exhibit thermally activated delayed fluorescence (TADF) behavior in the solid state. The excited states of thiocyanate species are dominated by the ligand to ligand SCN ? pi(phosphine) charge transfer transitions mixed with a variable contribution of MLCT. The boronation of SCN groups changes the nature of both the S1 and T1 states to (L + M)LCT d,p(M, P) ? pi(phosphine). The localization of the excited states on the aromatic systems of the phosphine ligands determines a wide range of luminescence energies achieved for the title complexes (lambdaem varies from 448 nm for 1 to 630 nm for 10c). The emission of compounds 10 and 15, based on the P4 ligand, strongly depends on the solid-state packing (lambdaem = 505 and 625 nm for two crystalline forms of 15), which affects structural reorganizations accompanying the formation of electronically excited states.

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

 

Discovery of 1111-67-7

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COA of Formula: CCuNS, Name is Cuprous thiocyanate, belongs to copper-catalyst compound, is a common compound. COA of Formula: CCuNSIn an article, authors is Lu, Wenkui, once mentioned the new application about COA of Formula: CCuNS.

We report an efficient approach for the direct synthesis of alkenylboronates using copper catalysis. The Cu/TEMPO catalyst system (where TEMPO = (2,2,6,6-tetramethylpiperidin-1-yl)oxyl) exhibits both excellent reactivity and selectivity for the synthesis of alkenylboronates, starting from inexpensive and abundant alkenes and pinacol diboron. This approach allows for the direct functionalization of both aromatic and aliphatic terminal alkenes. Mechanistic experiments suggest that the alkenylboronates arise from oxyboration intermediates.

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

 

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Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law.Product Details of 1111-67-7. In my other articles, you can also check out more blogs about 1111-67-7

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Non-centrosymmetric one- to three-dimensional CuSCN-based coordination polymers with substituted pyrazine or pyrimidine spacer ligands can be prepared by self-assembly in acetonitrile solution at 100C. Both 1?[CuSCN(2NCpyz)2] (1) (2 NCpyz = 2-cyanopyrazine) and 1?[CuSCN(4 HOpym)2] (3) (4 HOpym = 4-hydroxypyrimidine) contain single zigzag CuSCN chains as their central backbone and crystallise in polar space groups (monoclinic Cm and orthorhombic Ama2). In 2?[(CuSCN)2(mu-2Mepyz)] (2) (2Mepyz = 2-methylpyrazine), 1?[(CuSCN)2] staircase double chains are connected by bridging 2 Merpyz ligands to afford a lamellar polymer (triclinic P1). Whereas 2?[CuSCN(5 Brpym)] (4) (5 Brpym = 5-bromopyrimidine) with its honeycomb 2?[CuSCN] layers is chiral (monoclinic P21), both 3D polymers 3?[(CuSCN)2(mu-pym)] (5) and 3?[(CuSCN)3(mu-4 Mepym)] (6) (4 Mepym = 4-methylpyrimidine) contain polar coordination networks (orthorhombic Fdd2 and monoclinic Pc). The CuSCN framework in (5) consists of thiocyanate bridged 1?[CuS] chains, that in 6 of interlocked 2?[CuSCN] and 2?[Cu2S(SCN)] sheets.

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

 

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A copper-mediated oxidative dehydrosulfurative carbon-oxygen cross-coupling reaction with boric ester and six-membered cyclic thiourea for single-step production of densely substituted 2-alkoxypyrimidines incorporated in a privileged scaffold is described. This is the first demonstration of boric ester acting as an alkoxy donor in a metal-catalyzed coupling reaction to produce ether. The reaction method offers a shortcut for producing 2-alkoxypyrimidine derivatives with rapid diversification and expands the utility of boric ester and the scope of Liebeskind-Srogl-type reactions.

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

 

New explortion of 1111-67-7

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The development of effective and stable hole transporting materials (HTMs) is very important for achieving high-performance planar perovskite solar cells (PSCs). Herein, copper salts (cuprous thiocyanate (CuSCN) or cuprous iodide (CuI)) doped 2,2,7,7-tetrakis(N,N-di-p-methoxyphenylamine)-9,9-spirobifluorene (spiro-OMeTAD) based on a solution processing as the HTM in PSCs is demonstrated. The incorporation of CuSCN (or CuI) realizes a p-type doping with efficient charge transfer complex, which results in improved film conductivity and hole mobility in spiro-OMeTAD:CuSCN (or CuI) composite films. As a result, the PCE is largely improved from 14.82% to 18.02% due to obvious enhancements in the cell parameters of short-circuit current density and fill factor. Besides the HTM role, the composite film can suppress the film aggregation and crystallization of spiro-OMeTAD films with reduced pinholes and voids, which slows down the perovskite decomposition by avoiding the moisture infiltration to some extent. The finding in this work provides a simple method to improve the efficiency and stability of planar perovskite solar cells.

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

 

More research is needed about 1111-67-7

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Quantum dot sensitized solar cells (QDSSCs) are a promising photovoltaic technology due to their low cost and simplicity of fabrication. Most QDSSCs have an n-type configuration with electron injection from QDs into TiO2, which generally leads to unbalanced charge transport (slower hole transfer rate) limiting their efficiency and stability. We have previously demonstrated that p-type (inverted) QD sensitized cells have the potential to solve this problem. Here we show for the first time that electrodeposited CuSCN nanowires can be used as a p-type nanostructured electrode for p-QDSSCs. We demonstrate their efficient sensitization by heavy metal free CuInSxSe2-x quantum dots. Photophysical studies show efficient and fast hole injection from the excited QDs into the CuSCN nanowires. The transfer rate is strongly time dependent but the average rate of 2.5 × 109 s-1 is much faster than in previously studied sensitized systems based on NiO. Moreover, we have developed an original experiment allowing us to calculate independently the rates of charge injection and QD regeneration by the electrolyte and thus to determine which of these processes occurs first. The average QD regeneration rate (1.3 × 109 s-1) is in the same range as the hole injection rate, resulting in an overall balanced charge separation process. To reduce recombination in the sensitized systems and improve their stability, the CuSCN nanowires were coated with thin conformal layers of Al2O3 using atomic layer deposition (ALD) and fully characterized by XPS and EDX. We demonstrate that the alumina layer protects the surface of CuSCN nanowires, reduces charge recombination, and increases the overall charge transfer rate up to 1.5 times depending on the thickness of the deposited Al2O3 layer.

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

 

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Several new complexes of the type [Cu(NO3)(PPh3)2(L)m] (L=3-methylpyrazole, 4-methylpyrazole, 3,5-dimethylpyrazole, 4-bromopyrazole or bis(4-methylpyrazol-1-yl)methane, m=1; L=pyrazole, 1,2,4-triazole or 2-methylimidazole, m=2), [Cu(NO3)(PPh3)(L)] (L=3,4,5-trimethylpyrazole or 4-phenylimidazole), [Cu(NO)3(PAr3)n(L)3] (Ar=p- or m-tolyl, n=0 or 1, L=pyrazole),[CuX(PPh3)2(L)] (X=Cl, Br or I, L=pyrazole or 3,5-dimethylpyrazole) and [CuX(PPh3)(L)] (X=Cl or Br, L=bis(pyrazol-1-yl)methane, bis(3,5-dimethy lpyrazol-1-yl)methane or bis(triazol-1-yl)methane) have been prepared and characterized by analytical and spectral data. The compounds [CuX(PPh3)(L)] (X=Cl, Br or I, L=pyrazole or 3,5-dimethylpyrazole) are fluxional at temperature above 240 K. The dinuclear compound [Cu2(PPh3)3(pzH)2] was obtained when the reaction between [CuI(PPh3)3] and pyrazole (pzH) wascarried out in methanol containing alkali. In the crystal structure of the title compound, the copper atom is found in a strongly distorted tet rahedral coordination [P-Cu-P: 128.0(1)°] with two long Cu-O distances [2.217(9) and 2.184(9) A].

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

 

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Related Products of 1317-39-1, Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics.In a document type is Article, and a compound is mentioned, 1317-39-1, Copper(I) oxide, introducing its new discovery.

Ab initio theoretical study of Cu2S, CuS, Cu2O and CuO lead to the determination of their geometrical parameters.These molecules were showed to be strongly polarized.CuS and Cu2S normal modes wavenumbers were also calculated.Theoretical study of Cu2S electronic spectrum showed that all allowed transitions lead to ultraviolet radiations.The determination of the first and the second Cu2X ionization potentials (verticals and adiabatics) as well as the calculation of Cu2X(+) and Cu2X(2+) geometries allowed us to state accurately the Cu2S and Cu2O molecular orbital diagrams.

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