將 CoBr2⋅ xH2O、吡啶-3-甲酸及乙二胺 (en) 加水混合,利用水熱合成,得到含鈷(Ⅱ)的配位化合物,其化學式為反式-[Co(pya)2(H2O)4] (1) (pya =吡啶-3-甲酸根)。利用X-Ray 晶體繞射儀、FT-IR 光譜儀及元素分析儀測定產物晶體結構及性質。經 X-Ray 晶體繞射方法測定結果顯示,化合物 1 屬單斜晶系(monoclinic),空間群為C 1 2 1 (no. 5),晶體參數為:a = 14.1623(6) Å,b = 6.8385(3) Å,c = 8.4951(4) Å,β = 118.18(0)∘,V =725.23(6) Å3,Dx = 1.718 Mg m-3, Z = 2,R[F2 > 2σ(F2)] = 0.0311,wR(F2) = 0.0896。化合物 1 以鈷(Ⅱ)離子為反置中心,含兩個吡啶環上的 N 原子及四個配位水分子,配位構成六配位的正八面體型的幾何結構,具有 D2v 的對稱性。化合物 1 由於配位水分子以及吡啶-3-甲酸,因分子間的氫鍵作用,以及吡啶環之間的 π・・・π 吸引力,使得此晶體自組裝成 3-D 無限延伸的網狀結構。 A metal complex, trans-[Co(pya)2(H2O)4] (1) (pya = pyridine-3-carboxylic acid), is hydrothermal synthesized from the reaction of CoBr2⋅ xH2O, pyridine-3-carboxylic acid and ethylenediamine. Compound 1 is fully characterized by FT-infrared, elemental analysis and single crystal x-ray diffraction. Crystal data for this complex:Monoclinic,space group :C 1 2 1 (no. 5) ,a = 14.1623(6) Å,b = 6.8385(3) Å,c = 8.4951(4) Å,β = 118.18(0) ∘,V =725.23(6) Å3,Dx = 1.718 Mg m-3,, Z=1, R[F2 > 2σ(F2)] = 0.0311, wR(F2) = 0.0896.The title compound, the coordination sphere of the Co(Ⅱ) metal, is octahedral coordination with an approximate D2v symmetry. It is defined by four water molecular O atom and two N atoms from the two pya ligand. In addition, the intermolecular O-H・・・O hydrogen-bonding and π・・・π stacking interactions further extend the title
complex to form a 3-D structure.