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Synthesis, characterization, and density functional study of some manganese(III) Schiff-base complexes

机译:锰(III)席夫碱配合物的合成,表征及密度泛函研究

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Some Mn(III) complexes of N,N′-(2-hydroxy)propylenebis(acetylacetoneimine) (abbreviated to H2L1) and N,N′-(2-hydroxy)propylenebis(2-imino-3-oximino)butane (abbreviated to H2L2), [Mn(III)(Lig)(X)] (where Lig stands for the dianion of the Schiff-base ligands and X stands for CH3COO−, Cl−, Br−, I−) were synthesized. The complexes are characterized with the help of elemental analyses, magnetic moments, spectroscopic data (UV-Vis, infrared), and molecular weight determination (measured by Rast's method). The structures of the complexes were obtained using density functional theory (DFT). DFT calculation shows that 1-4 and 8 are trigonal-bipyramidal whereas 5-7 are square-pyramidal.View full textDownload full textKeywordsManganese(III) complexes, Density functional study, Vibrational spectra, Trigonal-bipyramidal geometryRelated var addthis_config = { ui_cobrand: "Taylor & Francis Online", services_compact: "citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,more", pubid: "ra-4dff56cd6bb1830b" }; Add to shortlist Link Permalink http://dx.doi.org/10.1080/00958972.2012.665448
机译:N,N'-(2-羟基)丙烯双(乙酰丙酮亚胺)(缩写为H 2 L 1 )和N,N€的某些Mn(III)配合物-(2-羟基)亚丙基双(2-亚氨基-3-氧亚氨基)丁烷(缩写为H 2 L 2 ),[Mn(III)(Lig)(X )](其中Lig代表席夫碱配体的二价阴离子,X代表CH 3 COO ∠,Cl ∠,Br ∠,I ˆ )。借助元素分析,磁矩,光谱数据(UV-Vis,红外)和分子量测定(通过Rast方法测量)来对复合物进行表征。使用密度泛函理论(DFT)获得复合物的结构。 DFT计算显示1-4和8是三角双锥体,而5-7是正方形双锥体。查看全文下载关键字锰(III)配合物,密度泛函研究,振动光谱,三角双锥体几何相关var addthis_config = {ui_cobrand:“泰勒和弗朗西斯在线”,services_compact:“ citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,更多”,发布号:“ ra-4dff56cd6bb1830b”};添加到候选列表链接永久链接http://dx.doi.org/10.1080/00958972.2012.665448

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