Having gained chemical understanding at molecular level, chemistry graduates may choose to apply this knowledge in almost unlimited ways, as it can be used to analyze all matter and therefore our entire environment. 1111-67-7, Name is Cuprous thiocyanate, belongs to copper-catalyst compound, is a common compound. Computed Properties of CCuNSIn an article, once mentioned the new application about 1111-67-7.
Nine new copper(I) complexes bearing 1,3-bis(diphenylphosphino)propane (dppp) and 4,7-diphenyl-1,10-phenanthroline (batho) or 2,9-dimethyl-1,10-phenanthroline (neo) have been synthesized and characterized. Single crystal X-ray diffraction analysis reveals that complexes 1?4 and 6?9 are mononuclear with similar structures, while complex 5 is a binuclear structure. They display absorption around 280 nm and 410 nm, and the intensive emission in the range of 520?620 nm in the solid state occurring with lifetimes on the mus timescale indicates phosphorescence. Our TD-DFT calculations show that emission from the lowest excited triplet state T1 is of 3MLCT nature. This study manifests that these simple and long-lifetime Cu(I) systems may exhibit a similar, but more complex excited state behavior than the systems previously appreciated.
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Reference：
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”