Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, Computed Properties of CCuNS, Name is Cuprous thiocyanate, belongs to copper-catalyst compound, is a common compound. Computed Properties of CCuNSIn an article, authors is Artemev, Alexander V., once mentioned the new application about Computed Properties of CCuNS.
Tris(2-pyridyl)phosphine oxide reacts with CuSCN to form a variety of luminescent complexes, depending on the specified metal-to-ligand ratio and the solvent used, viz. mononuclear [Cu(N,N?,N??-Py3P=O)(NCS)], dinuclear (N,N?-Py3P=O)Cu(SCNNCS)Cu[(N,N?-Py3P=O)], their co-crystal (2?:?1, correspondingly) and trinuclear {Cu(NCS)[SCNCu(N,N?,N??-Py3P=O)]2}. In the solid state, these complexes feature red-orange emission upon UV photoexcitation. The reaction of tris(2-pyridyl)phosphine with CuSCN quantitatively produces an almost insoluble coordination polymer, [Cu(Py3P)NCS]n, which exhibits bright green emission. The synthesized compounds are the first members of the hitherto unknown family of Cu(i) thiocyanate complexes supported by tripodal ligands.
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Reference：
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”