Experimental and spin-orbit coupled TDDFT predictions of photophysical properties of three-coordinate mononuclear and four-coordinate binuclear copper(I) complexes with thioamidines and bulky triarylphosphanes
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DOI: 10.1016/j.ica.2017.12.002
Abstract: Abstract The reactions of copper halides CuX with the N-heterocyclic thioamidine 5-methyl-1,3,4-thiadiazole-2-thione (mtdztH) in the presence of the sterically demanding tri(o-tolyl)phosphane (totp), depending on the halide, affords either the mononuclear compound [CuX(totp)(mtdztH)] (1), when X = I,… read more here.
Keywords: state; experimental spin; orbit coupled; copper ... See more keywords