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首页> 外文期刊>Vibrational Spectroscopy: An International Journal devoted to Applications of Infrared and Raman Spectroscopy >Vibrational and structural studies of new Cu2+ and Co2+ complexes based on croconate ion and 5,5 '-dimethyl-2,2 '-dipiridyl ligands
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Vibrational and structural studies of new Cu2+ and Co2+ complexes based on croconate ion and 5,5 '-dimethyl-2,2 '-dipiridyl ligands

机译：基于Croconate离子的新Cu2 +和CO2 +复合物的振动和结构研究，以及5,5'-二甲基-2,2'-二苯二苯基配体的振动和结构研究

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This work deals with the synthesis and spectroscopic characterization of novel complexes involving the co-ordination of croconate (C5O5)(2-) and 5,5'-dimethyl-2,2'-bipyridyl (DmBpy) ligands to the transition metal ions Co2+ and Cu2+. Two complexes involving the croconate species with the DmBpy ligand were obtained. The complex [Cu(C5O5)(DmBpy)(H2O)]center dot H2O (1) crystallizes in a monoclinic system, belonging to the P21/c space group and Z equal to four, whereas[Co(C5O5)(DmBpy)(H2O)(2)] (2) crystallizes in a triclinic system and belonging to the P-1 space group and Z equal to four. The Cu(II) complex presents a slightly distorted square base pyramid geometry, presenting a water molecule at the vertical position, whereas Co(II) compound shows an octahedral geometry with two water molecules at the vertices. In both compounds croconate ions act as a building block, and the nitrogenous ligand is the spacer agent, giving rise to the 3D structure. The vibrational analysis (Raman and infrared) supports the crystallographic data, and several band markers are identified in order to understand the supramolecular interactions, such as the stretching modes nu(CC)/nu(CN) at 1600 and 1498 cm(-1), respectively, shifted by the coordination to higher wavenumbers in both compounds (1604 and 1507 cm(-1), and 1604 and 1508 cm(-1), for (1) and (2) respectively), thus strongly corroborating the coordination of the ligand to the metal site through the nitrogen atoms present in the pyridine moiety. On the other hand, the band at 1718 cm(-1), assigned to the (CO=) stretching mode from croconate ion, can be used as the main band marker, due to the observed shift caused by the coordination to the metal center.
机译：该工作涉及新型复合物的合成和光谱表征，涉及鳄鱼（C5O5）（2-）和5,5'-二甲基-2,2'-双链酰基（DMBPY）配体的协调（C5O5）（2-）和5,5'-二甲基-2,2'-双吡啶（DMBPY）配体的合成和光谱表征于过渡金属离子CO2 +和cu2 +。获得了涉及鳄鱼种类与DMBPY配体的两种络合物。复合物[Cu（C5O5）（DMBPY）（DMBPY）（H2O）]中心点H2O（1）在单斜斜液系统中结晶，属于P21 / C空间组和Z等于四，而[CO（C5O5）（DMBPY）（DMBPY）（ H 2 O）（2）]（2）在三级系统中结晶并属于P-1空间组和Z等于四。 Cu（II）复合物呈现略微失真的方碱基金字塔几何形状，在垂直位置呈现水分子，而CO（II）化合物显示八面体几何形状，顶点在顶点上具有两个水分子。在两种化合物中，鳄鱼离子用作结构块，氮配体是间隔剂，产生3D结构。振动分析（拉曼和红外线）支持结晶数据，并且鉴定了几个带标记以便理解超分子相互作用，例如1600和1498cm（-1）的拉伸模式Nu（CC）/ Nu（CN）分别通过对化合物（1604和1507cm（-1）和1604厘米（-1）和1604和1508cm（-1）的高挥杆的协调移位，（1）和（2），从而强烈辨别的协调通过吡啶部分中存在的氮原子与金属位点的配体。另一方面，由于观察到由金属中心引起的观察者引起的观察者，可以使用分配给（Co =）拉伸模式的1718cm（-1）的带作为主带标记。 。

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