In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. Electric Literature of 1111-67-7, Name is Cuprous thiocyanate, Electric Literature of 1111-67-7, molecular formula is CCuNS. In a article，once mentioned of Electric Literature of 1111-67-7
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”