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The Cu1 cations in the title compound, [Cu(NCS)(C6C6H6- N2O)2]n, are coordinated by N atoms from each of two mirror-related nicotinamide ligands, as well as by one N atom of one thiocyanate ligand and one S atom of a symmetry-related thiocyanate ligand, within a slightly distorted tetrahedron. The Cu1 cations and the thiocyanate anions are located on a crystallographic mirror plane and the nicotinamide ligands occupy general positions. The Cu1 cations are connected by the thiocyanate anions to form chains in the direction of the crystallographic a axis. These chains are connected by hydrogen bonds between the amide H atoms and the O atoms of adjacent nicotinamide ligands, to give a three-dimensional structure.

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

 

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Four novel extended supramolecular structures based on pseudohalides (SCN) and the flexible cationic ligand 1,4-bis(4,4?-bipyridinium)butane ditetrafluoroborate (bbpyb), namely [bbpyb][Hg(SCN)4] (1), [Cu2(bbpyb)(SCN)4]n (2), [Ag2(bbpyb)(SCN)4]n (3) and [Cu6(bbpyb)(SCN)8]n (4) have been solvothermally synthesized and characterized by IR spectroscopy, thermal gravimetric analysis(TGA), PXRD, UV-Vis diffuse reflectance spectra and single-crystal X-ray diffraction in the solid state. Compound 1 is a 0D supramolecular structure consisted of one linear cationic ligand bbpyb2+ and inorganic mononuclear anion [Hg(SCN)4]2-. Compounds 2 and 3 exhibit infinite two-dimensional anionic architecture, which represent the same (6,3) topology. In compound 4, the cationic ligand bbpyb2+ bridge [Cu6(SCN)8] cluster unit to generate a 3D coordination framework. The structural diversities show that the pseudohalides (SCN) and cationic ligand should very likely be excellent candidates to construct higher dimensional extend supramolecular architectures. In addition, the optical band gap and photocatalytic properties of compounds 1-4 were also investigated.

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

 

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The coordination polymers 2?[(CuCN)2(mu-2 Mepyz)], 3?[CuCN(mu-2 Mepyz)] and 3?[CuCN(mu-4 Mepym)] (1-3) (2 Mepyz = 2-methylpyrazine; 4 Mepym = 4-methylpyrimidine) may be prepared by self-assembly in acetonitrile solution at 100 C (1, 3) or without solvent at 20 C (2). All three contain 1?[CuCN] chains that are bridged by the bidentate aromatic ligands into sheets in 1 and 3 D frameworks in 2 and 3. Reaction of CuSCN with these heterocyclic diazines at 100 C leads to formation of the lamellar coordination polymers 2?[(CuSCN)(mu-2 Mepyz)] (4) and 2?[CuSCN · (4 Mepym-kappaN1)] (5), which contain respectively 1?[CuSCN] chains and trans-trans fused 2?[CuSCN] sheets as substructures. The presence of an asymmetric substitution pattern in 2 Mepyz and 4 Mepym induces the adoption of a chiral structure by 2 and 5 (space groups P212121 and P1).

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

 

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

 

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Low temperature processed Perovskite solar cells (PSCs) are popular due to their potential for scalable production. In this work, we report reduced Graphene Oxide (r-GO)/copper (I) thiocyanate (CuSCN) as an efficient bilayer hole transport layer (HTL) for low temperature processed inverted planar PSCs. We have systematically optimized the thickness of CuSCN interlayer at the r-GO/MAPbI3 interface resulting in bilayer HTL structure to enhance the stability and photovoltaic performance of low temperature processed r-GO HTL based PSCs with a standard surface area of 1.02 cm2. With matched valence band energy level, the r-GO/CuSCN bilayer HTL based PSCs showed high power conversion efficiency of 14.28%, thanks to the improved open circuit voltage (VOC) compared to the only r-GO based PSC. Moreover, enhanced stability has been observed for the r-GO/CuSCN based PSCs which retained over 90% of its initial efficiency after 100 h light soaking measured under continuous AM 1.5 sun illumination.

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

 

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The prevalence of solvent effects in heterogeneous catalysis in condensed media has motivated developing quantitative kinetic, and theoretical assessments of solvent structures and their interactions with reaction intermediates and transition states. 1111-67-7, Name is Cuprous thiocyanate, belongs to copper-catalyst compound, is a common compound. Synthetic Route of 1111-67-7In an article, once mentioned the new application about 1111-67-7.

A number of adducts of copper(i) thiocyanate with bulky tertiary phosphine ligands, and some nitrogen-base solvates, were synthesized and structurally and spectroscopically characterised. CuSCN:PCy3 (1:2), as crystallized from pyridine, is shown by a single crystal X-ray study to be a one-dimensional polymer.(Cy3P)2CuSCN(Cy3P)2CuSCN. (1) with the four-coordinate copper atoms linked end-on by S-SCN-N bridging thiocyanate groups. A second form (2), obtained from acetonitrile, was also identified and shown by IR and 31P CPMAS NMR spectroscopy to be mononuclear, with the magnitude of the dnuCu parameter measured from the 31P CPMAS and the nu(CN) value from the IR clearly establishing this compound as three-coordinate [(Cy3P) 2CuNCS]. Two further CuSCN/PCy3 compounds CuSCN:PCy 3 (1:1) (3), and CuSCN:PCy3:py (1:1:1) (4) were also characterized spectroscopically, with the dnuCu parameters indicating three- and four-coordinate copper sites, respectively. Attempts to obtain a 1:2 adduct with tri-t-butylphosphine have yielded, from pyridine, the 1:1 adduct as a dimer [(But3P)(SCNNCS)Cu(PBut3)] (5), while similar attempts with tri-o-tolylphosphine (from acetonitrile and pyridine (= L)) resulted in solvated 1:1:1 CuSCN:P(o-tol)3:L forms as dimeric [{(o-tol) 3P}LCu(SCNNCS)CuL{P(o-tol)3}] (6 and 8). The solvent-free 1:1 CuSCN:P(o-tol)3 adduct (7), obtained by desolvation of 6, was characterized spectroscopically and dnuCu measurements from the 31P CPMAS NMR data are consistent with the decrease in coordination number of the copper atom from four (for 6) (P,N(MeCN)Cu,S,N) to three (for 7) (PCuS,N) upon loss of the acetonitrile of solvation. These results are compared with those previously reported for mononuclear and binuclear PPh3 adducts which demonstrate a clear tendency for the copper centre to remain four-coordinate. The IR spectroscopic measurements on these compounds show that bands in the far-IR spectra provide a much more definitive criterion for distinguishing between bridging and terminal bonding than does an often-used empirical rule based on nu(CN) in the mid-IR, which leads to the wrong conclusion in some cases.

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

 

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The object of the present invention is to provide a polydialkylsiloxane backbone containing film excellent in durability against hot water. The film of the present invention comprises a polydialkylsiloxane backbone, wherein the ratio of carbon atoms to silicon atoms (C/Si) is not less than 0.93 and less than 1.38 in terms of moles. In the film, the magnitude of a contact angle change ratio dW represented by a specific formula can be not less than ?10% provided that theta0 is an initial contact angle of water, and thetaW is a contact angle of water on the film immersed in ion-exchanged water of 70 C. for 24 hours.

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

 

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P-type copper(I) thiocyanate (beta-CuSCN) was deposited using a pneumatic micro-spray gun from a saturated solution in propyl sulphide. An as-produced 6 mum CuSCN film exhibited a hole mobility of 70 cm 2/V·s and conductivity of 0.02 S·m-1. A zinc oxide (ZnO) nanorod array was filled with CuSCN, demonstrating the capability of the process for filling nanostructured materials. This produced a diode with a n-type ZnO and p-type CuSCN junction. The best performing diodes exhibited rectifications of 3550 at ± 3 V. The electronic characteristics exhibited by the diode were attributed to a compact grain structure of the beta-CuSCN giving increased carrier mobility and an absence of cracks preventing electrical shorts between electrode contacts that are typically associated with beta-CuSCN films.

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

 

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CuSCN reacts with the angular ligand 2,4-bis(4-pyridyl)-1,3,5-triazine (dpt) to afford rare examples of coordination polymer structural isomers including a non-centrosymmetric three-dimensional framework with Cd(SO4) topology constructed from tetrahedral metal cations.

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

 

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Abstract A new method has been developed for the copper-mediated trifluoromethylthiolation of allylic halides by using potassium fluoride, elemental sulfur, and (trifluoromethyl)trimethylsilane in anhydrous N,N-dimethylformamide. This protocol provides facile access to a variety of allylic trifluoromethyl thioethers in moderate to good yields under mild, ligand-free reaction conditions.

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