Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: Crystal structures, Hirshfeld surface analysis and luminescence properties

DI SANTO, ALEJANDRO; PÉREZ, HIRAM; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; IGLESIAS, RODRIGO A.; CARBONIO, RAÚL E.; BEN ALTABEF, AIDA; GIL, DIEGO M.

RSC Advances

Royal Society of Chemistry

Año: 2018 vol. 8 p. 23891 - 23891

our new thiocyanate-Zn(ii) and -Cd(ii) complexes with 1-methylimidazole (1-MeIm) and 2-methylimidazole (2-MeIm), namely, Zn(1-MeIm)2(SCN)2 (1), Zn(2-MeIm)2(SCN)2 (2), Cd(1-MeIm)4(SCN)2 (3) and polymeric [Cd(2-MeIm)2(SCN)2]n (4), have been synthesized and characterized by IR, Raman and UV-Vis spectroscopy. The thermal behavior for all complexes was evaluated by thermo-gravimetric analysis and differential thermal analysis. The crystal structures of complexes 1-4 were solved by single-crystal X-ray diffraction methods. A study of intermolecular interactions in the solid state compounds revealed that molecules are linked by weak N-H⋯S and C-H⋯S hydrogen bonds and also by C-H⋯π interaction in the case of structures 2-4, which are responsible for the formation and stability of the molecular assemblies. Hirshfeld surfaces and 2D-fingerprint plots allowed us to visualize the intermolecular contacts and their relative contributions to the total surface for each compound