Synthesis, structure and non-linear optical property of a copper(II) thiocyanate three-dimensional supramolecular compound

A novel copper(II) thiocyanate complex [Cu(im)2(NCS)2] 1 (im=imidazole) has been prepared and characterized by spectroscopic analysis and crystallographic method. This supramolecular compound exhibits a three-dimensional solid state structure constituted by N–H⋯S hydrogen bonds and π–π stacking interactions. The compound in DMF solutions has a very strong third-order non-linear optical (NLO) behavior with absorption coefficient and refractive index <f>α2=1.18×10−11 m w−1,</f> <f>n2=−9.00×10−16 m2 w−1,</f> respectively, and third-order NLO susceptibility <f>χ(3)</f> of 7.00×10−10 esu. [Copyright &y& Elsevier]