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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >Correlation of infrared spectra of zinc(II) carboxylates with their structures
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Correlation of infrared spectra of zinc(II) carboxylates with their structures

机译：羧酸锌（II）的红外光谱与其结构的相关性

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The correlation of the infrared spectra of zinc(II) carboxylates with their structures was investigated in the paper. The complexes with different modes of the carboxylate binding, from chelating, through bridging (syn-syn, syn-anti, monatomic), ionic to monodentate were used for the study, namely [Zn(C6H5CHCHCOO)(2)(H2O)(2)] (I) With chelating carboxylate group (C6H5CHCHCOO=cinnamate), [Zn-2(C6H5COO)(4)(pap)(2)] (II) with syn-syn bridging carboxylate (C6H5COO=benzoate; pap=papaverine), [Zn(C6H5CHCHCOO)(2)(mpcm)](n) (III) with syn-anti carboxylate bridge (mpcm = methyl-3-pyridylcarbamate), [Zn(C5H4NCOO)(2)(H2O)(4)] (IV) with ionic carboxylate group (C5H4NCOO = nicotinate), [Zn(C6H5COO)(2)(pcb)(2)](n) (V) with monodentate carboxylate coordination (pcb = 3-pyridylearbinol) and [Zn-3(C6H5COO)(6)(nia)(2)] (VI) with syn-syn and monatomic carboxylate bridges (nia = nicotinamide). First, the mode of the carboxylate binding was assigned from the infrared spectra using the magnitude of the separation between the carboxylate stretches, Delta(exp) = nu(as)(COO-) - nu(s)(COO-). Then the values Delta(exp) were compared with those calculated from structural data of the carboxylate anion (Delta(calc)). The conclusions about the carboxylate binding which resulted from the Delta values, were confronted with the crystal structure of the complexes. The limitations and recommendations were formulated to assign the mode of the carboxylate binding from the infrared spectra. The dependence of the Delta(exp) values on the magnitudes of Zn-O-C angles in bidentate carboxylate coordination was observed. (c) 2006 Elsevier B.V. All rights reserved.
机译：研究了羧酸锌（II）的红外光谱与其结构的相关性。使用具有不同模式的羧酸盐结合的复合物，即从螯合到桥接（顺式-syn，顺-反，单原子），离子型到单齿型的复合物，即[Zn（C6H5CHCHCOO）（2）（H2O）（2 ）]（I）具有螯合的羧酸酯基团（C6H5CHCHCOO =肉桂酸酯），[Zn-2（C6H5COO）（4）（pap）（2）]（II）具有顺式-同步桥联羧酸酯（C6H5COO =苯甲酸酯; pap =罂粟碱） ，[Zn（C6H5CHCHCOO）（2）（mpcm）]（n）（III），具有顺-抗羧酸盐桥键（mpcm =甲基-3-吡啶基氨基甲酸酯），[Zn（C5H4NCOO）（2）（H2O）（4）] （IV）具有离子羧酸盐基团（C5H4NCOO =烟酸酯），[Zn（C6H5COO）（2）（pcb）（2）]（n）（V）具有单齿羧酸盐配位基（pcb = 3-吡啶基芥子油）和[Zn-3 （C6H5COO）（6）（nia）（2）]（VI）具有顺式-syn和单原子羧酸酯桥（nia =烟酰胺）。首先，使用羧酸根链段之间的间距Δ（exp）= nu（as）（COO-）-nu（s）（COO-），从红外光谱中确定羧酸根结合的模式。然后将值Delta（exp）与根据羧酸根阴离子的结构数据计算得出的值（Delta（calc））进行比较。由Δ值引起的关于羧酸盐结合的结论与配合物的晶体结构相对。制定了限制和建议，以指定红外光谱中羧酸盐结合的模式。观察到在双齿羧酸盐配位中，Delta（exp）值对Zn-O-C角大小的依赖性。 （c）2006 Elsevier B.V.保留所有权利。

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