本論文主旨在於探討2-氨基-5-鹵素嘧啶(2-amino-5-halopyrimidine)與銅金屬鹽類所合成之晶體結構,與其中所包含的弱作用力,以及其對於堆疊模式的影響。利用配位基與一價銅或二價銅鹽類反應,可得到下列五種錯化合物,其分子式如下: Cu(pymBr)2(NO3)2 (pymBr = 2-amino-5-bromopyrimidine), 4; Cu(pymI)2(NO3)2 (pymI = 2-amino-5-iodopyrimidine), 5, [Cu(pymCl)Cl]n (pymCl = 2-amino-5-chloropyrimidine), 6, [Cu(pymBr)Cl]n, 7, 和[Cu(pymI)Cl]n, 8,以上五種錯化合物的構造均已利用X-ray鑑定之。 經由X-ray所鑑定出的結構可得知,錯合物4, 與5皆為相同構形,係由銅金屬離子為中心配位上兩個配位基及兩個陰離子所形成中心金屬為平面四邊形構型的單體,單體和單體之間包含有弱作用力C-X---X, C-X---O, N-H---N, N-O---O, N-O---H, 及 π - π stacking 等作用力,而形成三維超分子結構。而錯合物6, 7和8則是利用中心一價銅金屬與兩個配位基以及兩個以橋接型式存在的鹵素陰離子,形成三維配位高分子,而其中心銅金屬為四角錐形配位模式。其中包含有兩種金屬員環的結構,一者為含有鹵素原子的金屬員環,另一者為包含氨基的金屬員環。
The syntheses and structures of a series of copper complexes of the types Cu(pymBr)2(NO3)2 (pymBr = 2-amino-5-bromopyrimidine), 4; Cu(pymI)2(NO3)2 (pymI = 2-amino-5-iodopyrimidine), 5, [Cu(pymCl)Cl]n (pymCl = 2-amino-5-chloropyrimidine), 6, [Cu(pymBr)Cl]n, 7, and [Cu(pymI)Cl]n, 8, are reported. All complexes have been structurally characterized by X-ray crystallography, confirming that complexes 4, and 5 are isomorphous monomeric complexes, which consist of a central copper(II) metal, two ligands and two anions, forming a square planar geometry. The C-X---X, C-X---O, N-O---O, N-O---H, N-H---N, and π-π stacking interactions were found in the structures, which link the molecules to form a 3D supramolecular structure. Complex 6, 7, and 8 are also isomorphous, which contain different halogen atoms. The copper(I) cation is coordinated by two ligands and two anions to form a 3D micro porous structure, which includes two types of metallocycle. One is based on halogen atoms on the pyrimidine rings, while the other is based on the amino groups.