Pastor Ramírez Cándida, Bernès Sylvain, Hernández Anzaldo Samuel, Reyes Ortega Yasmi
Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla, Av. San Claudio y 18 Sur, 72570 Puebla, Pue., Mexico.
Instituto de Física, Benemérita Universidad Autónoma de Puebla, 72570 Puebla, Pue., Mexico.
Acta Crystallogr E Crystallogr Commun. 2021 Jan 8;77(Pt 2):111-116. doi: 10.1107/S2056989020016680. eCollection 2021 Feb 1.
The new diamagnetic complex, [Zn(N)(CHNO)] or [Zn(pca)(μ-N)(N)] was synthesized using pyridine-2-carboxamide (pca) and azido ligands, and characterized using various techniques: IR spectroscopy and single-crystal X-ray diffraction in the solid state, and nuclear magnetic resonance (NMR) in solution. The mol-ecule is placed on an inversion centre in space group . The pca ligand chelates the metal centre the pyridine N atom and the carbonyl O atom. One azido ligand bridges the two symmetry-related Zn cations in the coordination mode, while the other independent azido anion occupies the fifth coordination site, as a terminal ligand. The resulting five-coordinate Zn centres have a coordination geometry inter-mediate between trigonal bipyramidal and square pyramidal. The behaviour of the title complex in DMSO solution suggests that it is a suitable NMR probe for similar or isostructural complexes including other transition-metal ions. The diamagnetic nature of the complex is reflected in similar H and C NMR chemical shifts for the free ligand pca as for the Zn complex.
使用吡啶 - 2 - 甲酰胺(pca)和叠氮配体合成了新的抗磁性配合物[Zn(N)(CHNO)]或[Zn(pca)(μ - N)(N)],并采用多种技术对其进行表征:固态红外光谱和单晶X射线衍射,以及溶液中的核磁共振(NMR)。该分子位于空间群 的对称中心上。pca配体通过吡啶N原子和羰基O原子螯合金属中心。一个叠氮配体以 配位模式桥连两个对称相关的Zn阳离子,而另一个独立的叠氮阴离子作为端基配体占据第五个配位位点。由此产生的五配位Zn中心具有介于三角双锥和四方锥之间的配位几何结构。标题配合物在DMSO溶液中的行为表明,它是用于包括其他过渡金属离子在内的相似或同构配合物的合适NMR探针。该配合物的抗磁性体现在游离配体pca与Zn配合物的H和C NMR化学位移相似。