Bibi Naheed, Guerra Renan Barrach, Huamaní Luis Enrique Santa Cruz, Formiga André Luiz Barboza
Institute of Chemistry, University of Campinas - UNICAMP, PO Box 6154, 13083-970, Campinas, SP, Brazil.
Acta Crystallogr E Crystallogr Commun. 2018 Jun 5;74(Pt 7):874-877. doi: 10.1107/S2056989018007995. eCollection 2018 Jul 1.
The crystal structure of the title compound, Ru(CHN)·3HO, a novel Ru complex with the bidentate ligand 2-(1-imidazol-2-yl)pyrimidine, comprises a complex cation in the form exclusively, with a distorted octa-hedral geometry about the ruthenium(II) cation. The Ru-N bonds involving imidazole N atoms are comparatively shorter than the Ru-N bonds from pyrimidine because of the stronger basicity of the imidazole moiety. The three-dimensional hydrogen-bonded network involves all species in the lattice with water mol-ecules inter-acting with both counter-ions and NH hydrogen atoms from the complex. The supra-molecular structure of the crystal also shows that two units of the complex bind strongly through a mutual N-H⋯N bond. The electronic absorption spectrum of the complex displays an asymmetric band at 421 nm, which might point to the presence of two metal-to-ligand charge-transfer (MLCT) bands. Electrochemical measurements show a quasi-reversible peak referring to the Ru/Ru reduction at 0.87 V Ag/AgCl.
标题化合物Ru(CHN)·3HO的晶体结构，是一种具有双齿配体2-(1-咪唑-2-基)嘧啶的新型钌配合物，仅包含一个复杂阳离子，围绕钌(II)阳离子呈扭曲的八面体几何构型。由于咪唑部分的碱性更强，涉及咪唑氮原子的Ru-N键比嘧啶的Ru-N键相对短。三维氢键网络涉及晶格中的所有物种，水分子与抗衡离子和配合物中的NH氢原子相互作用。晶体的超分子结构还表明，两个配合物单元通过相互的N-H⋯N键强烈结合。该配合物的电子吸收光谱在421 nm处显示出一个不对称带，这可能表明存在两个金属到配体的电荷转移(MLCT)带。电化学测量显示在0.87 V（相对于Ag/AgCl）处有一个指Ru/Ru还原的准可逆峰。
