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Frisch, M., Trucks, G., Schlegel, H., Scuseria, G., Robb, M., Cheeseman, J., Scalmani, G., Barone, V., Mennucci, B., Petersson, G., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H., Izmaylov, A., Bloino, J., Zheng, G., Sonnenberg, J., Hada, M. and Fox, D. (2009) Gaussian 09 (Revision A02). Gaussian Inc., Wallingford.

has been cited by the following article:

• TITLE: Crystal Packing Studies, Thermal Properties and Hirshfeld Surface Analysis in the Zn(II) Complex of 3-Aminopyridine with Thiocyanate as Co-Ligand

  AUTHORS: Divine Mbom Yufanyi, Hubert Jean Nono, Amah Colette Benedicta Yuoh, Che Dieudonne Tabong, Wirsiy Judith, Agwara Moise Ondoh

  KEYWORDS: Aminopyridine, DFT Studies, Hirshfeld Surface, Thiocyanate, Zinc

  JOURNAL NAME: Open Journal of Inorganic Chemistry, Vol.11 No.3, July 8, 2021

  ABSTRACT: Reaction of zinc acetate, potassium thiocyanate and the ligand 3-ampy gave the discrete tetrahedral complex [Zn(NCS)2(3-ampy)2] in which 3-ampy chelates in a monodentate fashion through its pyridine-N atom. It was characterized by single crystal X-ray diffraction, infrared, and elemental analysis. Density Functional Theory calculations were performed in order to gain insights into the role of weak molecular interactions in the complex that influence the self-assembly process and crystal packing. X---H (X = H, C, N and S) inter-actions. S-H interactions (30.2%) were found to be the main interactions that hold the molecules in the crystal structure. Furthermore, the thermolysis of the complex was studied in order to evaluate whether it was suitable as a precursor for zinc sulphide.