本論文主要是以甲基-4-(嘧啶基-2-醯胺基)苯甲酸酯配位基(L),與 錳(II)、汞(II) 及鈷(II)金屬鹽類反應,利用“氣擴養晶法”合成出三種化合物。分別為: MnCl2(L)2.2CH3OH , 1 、HgCl2(L) , 2 與 Co(NO3)2(L)2.CH3OH , 3。以上三者化合物結構已經由單晶X-ray 繞射儀獲得。化合物 1 :空間群為 C2/c , a = 19.8015 (3) Å , b = 13.2560 (2) Å , c = 13.6125 (2) Å , α = 90 ° , β = 118.7490 (10) ° , γ = 90 ° , V = 3132.68 (8) Å3 , Z = 4 , R1 = 0.0515 , wR2 = 0.1045。化合物 2 :空間群為 P21/c, a = 11.6012 (3) Å,b = 9.6100 (2) Å,c = 14.1136 (3) Å, α = 90 ° , β = 99.2120 (10) ° , γ = 90 °, V = 1553.20(6) Å3, Z = 4, R1 = 0.0438, wR2 = 0.0732。 化合物 3 :空間群為 Pī, a = 10.6710 (3) Å , b = 12.4539 (3) Å , c = 13.7675 (4) Å , V = 1525.92 (7) Å3 , Z = 2 , R1 = 0.0851 , wR2 = 0.1677 。 化合物 1–3 均為單核的金屬化合物,而其中化合物 2 與 3 能藉由分子間氫鍵作用力及 π --- π 作用力堆疊成超分子化合物。
This thesis discusses the synthesis and structures of Mn(II), Hg(II) and Co(II) complexes containing methyl-4-(pyrimidin-2-ylcarbamoyl)benzoate (L), Which are MnCl2(L)2.2CH3OH , 1 ,HgCl2(L) , 2 與 Co(NO3)2(L)2.CH3OH , 3 , respectively. Their structures have been determined by X-ray crystallography and FT-IR spectra. Crystal data for 1: space group C2/c. a = 19.8015 (3) Å, b = 13.2560 (2) Å, c = 13.6125 (2) Å, α = 90 °, β = 118.7490 (10) °, γ = 90 °, V = 3132.68 (8) Å3, Z = 4 , R1 = 0.0515, wR2 = 0.1045. Crystal data for 2: space group P21/c, a = 11.6012 (3) Å, b = 9.6100 (2) Å, c = 14.1136 (3) Å, α = 90 °, β = 99.2120 (10) °, γ = 90 °, V = 1553.20 (6) Å3, Z = 4, R1 = 0.0438 , wR2 = 0.0732. Crystal data for 3: space group Pī, a = 10.6710 (3) Å, b = 12.4539 (3) Å, c = 13.7675 (4) Å, V = 1525.92 (7) Å3, Z = 2, R1 = 0.0851,wR2 = 0.1677. Complexes 1-3 are mononuclear, whereas the molecules of 2 and 3 are interlinked by hydrogen bonds and π---π interactions to form supramolecular structures.