Uçar Ibrahim, Bozkurt Esat, Kazak Canan, Bulut Ahmet
Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayis University, Kurupelit, 55139 Samsun, Turkey.
Spectrochim Acta A Mol Biomol Spectrosc. 2009 Feb;72(1):11-6. doi: 10.1016/j.saa.2008.06.046. Epub 2008 Jul 16.
Mononuclear copper(II) saccharinate (sac) complex containing ethylnicotinate (enc), [Cu(enc)(2)(sac)(2)(H(2)O)].1.4H(2)O has been synthesized and characterized by spectroscopic (IR, UV-vis, EPR), X-ray diffraction technique and electrochemical methods. It crystallizes in the tetragonal crystal systems with space group I4(1)cd and Z=8. The copper(II) ion presents a CuN(4)O distorted square pyramidal coordination. Based on EPR and optical absorption studies, spin-Hamiltonian and bonding parameters have been calculated. The g-values, calculated for title complex in polycrystalline state at 298 K and in frozen DMF (110K), indicate the presence of the unpaired electron in the d(x)(2)-(y)(2) orbital. The evaluated metal-ligand bonding parameters showed strong in-plane sigma and in-plane pi-bonding. Some comparisons with related structures are made and the most important features of its IR spectrum were also discussed. The cyclic voltammogram of the title complex investigated in DMF (dimethylformamide) solution exhibits only metal centred electroactivity in the potential range +/-1.25 V vs. Ag/AgCl reference electrode.
含烟酸乙酯（enc）的单核铜（II）糖精（sac）配合物[Cu(enc)(2)(sac)(2)(H(2)O)].1.4H(2)O已被合成，并通过光谱学方法（红外光谱、紫外可见光谱、电子顺磁共振）、X射线衍射技术和电化学方法进行了表征。它以四方晶系结晶，空间群为I4(1)cd且Z = 8。铜（II）离子呈现出扭曲的CuN(4)O四方锥配位结构。基于电子顺磁共振和光吸收研究，计算了自旋哈密顿量和键合参数。在298 K的多晶态和冷冻N,N - 二甲基甲酰胺（110K）中对标题配合物计算得到的g值表明，未成对电子存在于d(x)(2)-(y)(2)轨道中。评估得到的金属 - 配体键合参数显示出较强的面内σ键和面内π键作用。与相关结构进行了一些比较，并讨论了其红外光谱的最重要特征。在N,N - 二甲基甲酰胺（DMF）溶液中研究的标题配合物的循环伏安图在相对于Ag/AgCl参比电极的±1.25 V电位范围内仅表现出以金属为中心的电活性。
