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

作　　者：Divine Mbom Yufanyi Hubert Jean Nono Amah Colette Benedicta Yuoh Che Dieudonne Tabong Wirsiy Judith Agwara Moise Ondoh Divine Mbom Yufanyi;Hubert Jean Nono;Amah Colette Benedicta Yuoh;Che Dieudonne Tabong;Wirsiy Judith;Agwara Moise Ondoh(Department of Fundamental Science, Higher Technical Teachers’ Training College, The University of Bamenda, Bamenda, Cameroon;Department of Chemical and Biological Engineering, National Higher Polytechnic Institute, The University of Bamenda, Bamenda, Cameroon;Department of Chemistry, Faculty of Science, The University of Bamenda, Bamenda, Cameroon;Department of Chemistry, Higher Teacher Training College, The University of Bamenda, Bamenda, Cameroon;Department of Inorganic Chemistry, Faculty of Science, University of Yaounde I, Yaounde, Cameroon)

机构地区：[1]Department of Fundamental Science, Higher Technical Teachers’ Training College, The University of Bamenda, Bamenda, Cameroon [2]Department of Chemical and Biological Engineering, National Higher Polytechnic Institute, The University of Bamenda, Bamenda, Cameroon [3]Department of Chemistry, Faculty of Science, The University of Bamenda, Bamenda, Cameroon [4]Department of Chemistry, Higher Teacher Training College, The University of Bamenda, Bamenda, Cameroon [5]Department of Inorganic Chemistry, Faculty of Science, University of Yaounde I, Yaounde, Cameroon

出　　处：《Open Journal of Inorganic Chemistry》2021年第3期63-84,共22页无机化学期刊（英文）

摘　　要：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.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.

关 键 词：AMINOPYRIDINE DFT Studies Hirshfeld Surface THIOCYANATE ZINC 

分 类 号：O64[理学—物理化学]