Archives for Chemistry Experiments of Cuprous thiocyanate

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Syntheses and crystal structures of novel heterobimetallic tantalum coin metal chalcogenido clusters

In the presence of phosphine the thiotantalats (Et4N)4[Ta6S17] ¡¤ 3MeCN reacts with copper to give a number of new heterobimetallic tantalum copper chalcogenide dusters. These clusters show metal chalcogenide units some of which here already known from the chemistry of vanadium and niobium. New Ta – M-chalcogenide dusters could also be synthesised by reaction of TaCl5 and silylated chalcogen reagents with copper or silver salts in presence of phosphine. Such examples are: [Ta2Cu2S4Cl2(PMe3) 6] ¡¤ DMF (1), (Et4N)[Ta3Cu5S8Cl5 (PMe3)6] ¡¤ 2MeCN (2), (Et4N)[Ta9Cu10S24Cl8 (PMe3)14] ¡¤ 2MeCN (3), [Ta4Cu12Cl8S12(PMe3) 12] (4), (Et4N)[Ta2Cu6S6Cl5 (PPh3)6] ¡¤ 5MeCN (5), (Et4N)[Ta2Cu6S6Cl5 (PPh2Me)6] ¡¤ 2MeCN (6), (Et4N)[Ta2Cu6S6Cl5 (ptBu2Cl)6] ¡¤ MeCN (7) [Ta2Cu2S4Br4(PPh3) 2(MeCN)2] ¡¤ MeCN (8), [Cu(PMe3)4]2[Ta2Cu6S 6(SCN)6(PMe3)6] ¡¤ 4MeCN (9), [TaCu5S4Cl2(dppm)4] ¡¤ DMF (10), [Ta2Cu2Se4(SCN)2(PMe 3)6] (11), [Cu(PMe3)4]2[Ta2Cu6Se 6(SCN)6(PMe3)6] ¡¤ 4MeCN (12), [TaCu4Se4(PnPr3)6] [TaCl6] (13), [Ta2Ag2 Se4Cl2(PMe3)6] ¡¤ MeCN (14), ?[TaAg3Se4(PMe3)3] (15). The structures of these compounds were obtained by X-ray single crystal structure analysis.

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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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A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, Computed Properties of CCuNS, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. Computed Properties of CCuNS, Name is Cuprous thiocyanate, molecular formula is CCuNS. In a Article, authors is Barnett, Sarah A.£¬once mentioned of Computed Properties of CCuNS

Structural isomerism in CuSCN coordination polymers

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

 

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Highly Stable and Efficient Perovskite Solar Cells with 22.0% Efficiency Based on Inorganic?Organic Dopant-Free Double Hole Transporting Layers

Most of the high performance in perovskite solar cells (PSCs) have only been achieved with two organic hole transporting materials: 2,2?,7,7?-tetrakis(N,N-di-p-methoxyphenylamine)-9,9-spirobifluorene (Spiro-OMeTAD) and poly(triarylamine) (PTAA), but their high cost and low stability caused by the hygroscopic dopant greatly hinder the commercialization of PSCs. One effective alternative to address this problem is to utilize inexpensive inorganic hole transporting layer (i-HTL), but obtaining high efficiency via i-HTLs has remained a challenge. Herein, a well-designed inorganic?organic double HTL is constructed by introducing an ultrathin polymer layer dithiophene-benzene (DTB) between CuSCN and Au contact. This strategy not only enhances the hole extraction efficiency through the formation of cascaded energy levels, but also prevents the degradation of CuSCN caused by the reaction between CuSCN and Au electrode. Furthermore, the CuSCN layer also promotes the formation of a pinhole-free and compact DTB over layer in the CuSCN/DTB structure. Consequently, the PSCs fabricated with this CuSCN/DTB layer achieves the power conversion efficiency of 22.0% (certified: 21.7%), which is among the top efficiencies for PSCs based on dopant-free HTLs. Moreover, the fabricated PSCs exhibit high light stability under more than 1000 h of light illumination and excellent environmental stability at high temperature (85 C) or high relative humidity (>60% RH).

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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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The side chain template effect in viologen on the formation of polypseudorotaxane architecture: Six novel metal coordination polymers and their properties

The reaction of CuSCN (or CuCl2) in the presence of excess KSCN directed by viologen-based linear templates in a dimethyl formamide-methanol system affords six coordination polymers, {(MV)[Cu2(SCN) 4]}n (1, MV2+ = 1,1?-dimethyl-4,4?- bipyridinium), {(PrV)[Cu2(SCN)4]}n (2, PrV 2+ = 1,1?-dipropyl-4,4?-bipyridinium), {(iPV)[Cu 2(SCN)4]}n (3, iPV2+ = 1,1?-diisopropyl-4,4?-bipyridinium), [(1-iBV)Cu2(SCN) 3]n (4, 1-iBV2+ = 1-isobutyl-4,4?- bipyridinium), {(iBV)[Cu2(SCN)4]}n (5, iBV 2+ = 1,1?-diisobutyl-4,4?-bipyridinium), and {(PtV)[Cu2(SCN)4]}n (6, PtV2+ = 1,1?-dipentyl-4,4?-bipyridinium). The [Cu2(SCN) 4]n anion in compounds 1, 3 and 5 adopts an infinite two-dimensional polypseudorotaxane architecture and proved effectively that the stoppers at the end can enhance the polyrotaxane formation in the crystalline state, whereas the anion moieties in compounds 2 and 6 exhibit one-dimensional linear architectures, suggesting dethreading from envelopes once solidifying from solution phase. Compound 4 was found to be a two-dimensional coordination polymer with the organic ligand carrying a single charge. The side chain template effect of substituted group, UV-Vis diffuse reflectance spectra in the solid state and TGA properties of the six complexes are investigated.

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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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Charge-Transporting Materials for Perovskite Solar Cells

The power conversion efficiency of perovskite solar cells (PSCs) has been certified as ?22.1%, approaching the best single crystalline silicon solar cells. The improvement in the performance of PSCs could be achieved through the testing of novel materials in the device. This review briefly discusses the systematic introduction about several inorganic and organic electron-transporting materials (ETMs) and hole-transporting materials (HTMs) for efficient PSCs. The transport mechanism of electrons and holes in different ETMs/HTMs is also discussed on the basis of energy band diagrams with respect to the perovskite absorber. Moreover, the introduction of appropriate interfacial materials, hybrid ETMs, and doping is discussed to optimize the interfacial electronic properties between the perovskite layer and the charge-collecting electrode.

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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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Correction to: Electronic Properties of Copper(I) Thiocyanate (CuSCN) (Advanced Electronic Materials, (2017), 3, 3, (1600378), 10.1002/aelm.201600378)

Adv. Electron. Mater. 2017, 3, 1600378 A funding body was accidentally omitted from the acknowledgements section of this manuscript. The full acknowledgements are as follows: P.P. would like to acknowledge the funding from the Office of the Higher Education Commission (OHEC) and the Thailand Research Fund (TRF) under grant number MRG5980214.

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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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New ambient pressure organic superconductor (BEDT-TTF)2Cu(NCS)2 with Tc above 10 K

An ambient pressure superconductivity in (BEDT-TTF)2Cu(NCS)2 is reported. The superconducting critical temperature is the highest among the organic superconductors so far obtained (Tc=10.4 K). The salt prepared using deuterated BEDT-TTF is also an ambient pressure superconductor with a slightly higher Tc (11.0 K). The crystal structure analysis and resistivity measurement revealed the highly two-dimensional nature of this salt. The temperature dependence of normal resistivity, superconducting critical field, quantum oscillation of resistivity and so on are reported down to 0.5 K and up to 13.5 T. The superconducting upper critical field shows a peculiar temperature dependence, and the parallel critical field behavior is ascribed to the dimensional crossover effect. The quantum oscillation is understood as the Shubnikov-de Haas effect, and the possible Fermi surface is presented. The possible superconducting mechanisms are also discussed.

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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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Two novel anion cluster compounds with a planar ‘open’ structure [Et4N]2[MS4Cu4(SCN)4(2-pic)4] (M = W, Mo; 2-pic = 2-methylpyridine): Synthesis, structural characterization, nonlinear response and large optical limiting properties

The title compounds [Et4N]2[MS4Cu4(SCN)4(2-pic)4] (M = W l, Mo 2) have been synthesized by the reaction of (Et4N)2MS4, Cu(SCN) and 2-picoline (2-pic, 2-methylpyridine). Single crystal X-ray diffraction data show that the anion clusters [MS4Cu4(SCN)4(2-pic)4]2 have the planar ‘open’ structure with four Cu atoms in three kinds of coordination modes. Nonlinear optical properties of these two clusters are investigated with a 8 ns pulsed laser at 532 nm. The two clusters exhibit large optical limiting performance, with limiting threshold values of 0.3 J cm2 for 1, 0.5 J cm2 for 2, and self-defocusing effects, effective nonlinear refractive index /;2 = -6.84 x 1012 esu (esu = 7.162 x 10 m5 v2) 1 and 2 = -8.48 x 1012 esu 2 respectively. Both compounds show reverse saturable absorption: a2 = 3.1 x l(T6 m W1 for 1 and a2 = 3.2 x 106 m W’ for 2 in 6.98 x 104 mol dm3 and 7.44 x 10 mol dm3 DMF solution respectively. The corresponding effective NLO susceptibilities %m are 6.5 x 108 esu 1 and 8.9 x 108 esu 2 while the corresponding hyperpolarizabilities (y(I) = 9.42 x 1032 esu and ym = 1.29 x 1031 esu) are also reported. The Royal Society of Chemistry 2000.

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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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Method of use of, and compositions containing, disubstituted xanthone carboxylic acid compounds

Compositions containing and methods employing, as the essential ingredient, novel disubstituted xanthone carboxylic acid compounds which are useful in the treatment of allergic conditions. Methods for preparing these compounds and compositions and intermediates therein are also disclosed. 5-Methylthio-7-isopropoxyxanthone-2-carboxylic acid and 5,7-di-(methylthio)xanthone-2-carboxylic acid are illustrated as representative compounds.

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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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A new CuI(SCN) structural motif: Synthesis of an uncharged three-dimensional co-ordination network

The complex [Cu2(SCN)2(L)]? (L = pyrazine) has been prepared and characterised by X-ray diffraction studies revealing a new uncharged three-dimensional co-ordination network consisting of undulating [Cu(SCN)]? sheets bridged by pyrazine ligands.

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