The tris[（2-methyl-2-phenyl）propyl]（2,4-dinitro-phenolato）tin was synthesized by the reaction of bis[tri（2-methyl-2-phenyl）propyltin] oxide with 2,4-dinitrophenol. The compound was characterized by IR, 1H NMR sp...The tris[（2-methyl-2-phenyl）propyl]（2,4-dinitro-phenolato）tin was synthesized by the reaction of bis[tri（2-methyl-2-phenyl）propyltin] oxide with 2,4-dinitrophenol. The compound was characterized by IR, 1H NMR spectra and elemental analysis. The crystal structure has been determined by X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 0.9649（0）, b = 1.0087（8）, c = 3.4867（4） nm, β = 90.965（7） , Z = 4, V = 3.3933（7） nm3, Dc = 1.369 Mg·m-3, （MoKa） = 0.796 mm-1, F（000） = 1440, R = 0.0345 and wR = 0.0821. The tin atom has a distorted tetrahedral geometry. The 2D network structure of the complex is formed by hydrogen bonds and π-π effects. The stabilities, orbital energies and composition characteristics of some frontier molecular orbitals of the complexes have been investigated with the aid of G98W software.展开更多
基金the Natural Science Foundation of Hunan Province (No. 11JJ3021)the Innovation Platform Open fund of Hunan Provincial Education Department (No.09K099 and No. 10K010) and a key project (No. 10A014)+3 种基金the Hunan Provincial Scientific Program (No.2010JT4041)the open fund of the Key Laboratory of Functional Organometallic Materials of Colleges of Hunan Province (No.10K02)Hengyang Municipal Scientific Program (2011KG56)the Youth Program of Hengyang Normal University (No. 11A28)
文摘The tris[（2-methyl-2-phenyl）propyl]（2,4-dinitro-phenolato）tin was synthesized by the reaction of bis[tri（2-methyl-2-phenyl）propyltin] oxide with 2,4-dinitrophenol. The compound was characterized by IR, 1H NMR spectra and elemental analysis. The crystal structure has been determined by X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 0.9649（0）, b = 1.0087（8）, c = 3.4867（4） nm, β = 90.965（7） , Z = 4, V = 3.3933（7） nm3, Dc = 1.369 Mg·m-3, （MoKa） = 0.796 mm-1, F（000） = 1440, R = 0.0345 and wR = 0.0821. The tin atom has a distorted tetrahedral geometry. The 2D network structure of the complex is formed by hydrogen bonds and π-π effects. The stabilities, orbital energies and composition characteristics of some frontier molecular orbitals of the complexes have been investigated with the aid of G98W software.
