The molecular structure of high-spin (S = ) manganese(II) phthalocyanine in tetrabutylammonium bromido(phthalocyaninato)manganese(II)

Konarev; Dmitri V.; Kuzmin; Alexey V..; Khasanov; Salavat S..; Lyubovskaya; Rimma N.

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The molecular structure of high-spin (S = ) manganese(II) phthalocyanine in tetrabutylammonium bromido(phthalocyaninato)manganese(II)

机译：溴化四丁基铵酞菁锰中高自旋（S =）酞菁锰的分子结构

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The title complex salt, (C16H36N)[MnBr(C32H16N8)] or (TBA)[MnIIBr(Pc)] (TBA is tetrabutylammonium and Pc is phthalocyaninate), has been obtained as single crystals by the diffusion technique and its crystal structure was determined using X-ray diffraction. The high-spin (S = ) [MnIIBr(Pc)]? macrocycle has a concave conformation, with an average equatorial Mn—N(Pc) bond length of 2.1187?(19)??, an axial Mn—Br bond length of 2.5493?(7)?? and with the MnII cation displaced out of the 24-atom Pc plane by 0.894?(2)??. The geometry of the MnIIN4 fragment in [MnIIBr(Pc)]? is similar to that of the high-spin (S = ) manganese(II) tetraphenylporphyrin (TPP) in [MnII(1-MeIm)(TPP)] (1-MeIm is 1-methylimidazole).

机译：通过扩散技术获得了标题化合物（C16H36N）[MnBr（C32H16N8）]或（TBA）[MnIIBr（Pc）]（TBA为四丁基铵，Pc为酞菁盐），并确定了其晶体结构使用X射线衍射。高自旋（S =）[MnIIBr（Pc）]？大环具有凹构象，平均赤道Mn-N（Pc）键长为2.1187？（19）?，轴向Mn-Br键长为2.5493？（7）?。 MnII阳离子从24原子的Pc平面中移出0.894？（2）?。 [MnIIBr（Pc）]中MnIIN4片段的几何形状？与[MnII（1-MeIm）（TPP）]中的高旋转（S =）锰（II）四苯基卟啉（TPP）相似（1-MeIm为1-甲基咪唑）。

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《Acta crystallographica. Section C, Structural chemistry.》 |2014年第5期|共3页
作者
Konarev; Dmitri V.; Kuzmin; Alexey V..; Khasanov; Salavat S..; Lyubovskaya; Rimma N.;
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正文语种 eng
中图分类晶体学;
关键词
crystal structure; high-spin manganese(II) complex; tetrabutylammonium salt; phthalocyanine ligand;

机译：晶体结构;高自旋锰（II）配合物;四丁基铵盐;酞菁配体;

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1. The molecular structure of high-spin (S = ) manganese(II) phthalocyanine in tetrabutylammonium bromido(phthalocyaninato)manganese(II) [J] . Konarev, Dmitri V., Kuzmin, Acta crystallographica. Section C, Structural chemistry. . 2014,第5期

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The molecular structure of high-spin (S = ) manganese(II) phthalocyanine in tetrabutylammonium bromido(phthalocyaninato)manganese(II)

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