Synthesis, crystal structure, thermal and spectroscopic properties of ZnX2-2-methylpyrazine (X = Cl, Br, I) coordination compounds

Abstract

Abstract Reaction of zinc(II) chloride, bromide and iodide with 2-methylpyrazine (2-Mepyz) leads to the formation of coordination compounds with the composition ZnX2(2-Mepyz)2 (X = Cl; 1-Cl, Br; 1-Br and I; 1-I). In the compounds each Zn cation is tetrahedrally coordinated by two halide anions and two 2-methylpyrazine ligands forming discrete complexes. TG-DTA and temperature dependent PXRD measurements prove that upon heating compounds 1 transform into new compounds with the composition ZnX2(2-Mepyz) (2), that are subsequently converted into compounds with the composition (ZnX2)3(2-Mepyz) (3) upon further heating. It was also found that compounds 2 can be prepared directly in solution. For ZnI2(2-Mepyz) (2-I) crystals were obtained and characterized by single crystal X-ray diffraction, whereas the crystal structures of 2-Cl and 2-Br were determined ab initio from PXRD data. In these compounds the Zn cations are also tetrahedrally coordinated and linked into chains by bridging 2-methylpyrazine ligands. The (ZnX2)3(2-Mepyz) compounds can only be obtained by thermal decomposition, and the products are of poor crystallinity and extremely hygroscopic, which prevented structure determinations.