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化学学报
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化学学报 ›› 2002, Vol. 60 ›› Issue (8): 1479-1484. 上一篇    下一篇

研究论文

N-（邻甲基苯基）二茂铁磺酰胺的制备、晶体结构及热分解研究

白银娟;李明;路军;马怀让   

  1. 西北大学化学系,西安(710069)
  • 发布日期:2002-08-15

Studies on Synthesis, Crystal Structure and Thermal Decomposition of N-(o-methylphenyl) ferrocenesulfonamide

Bai Yinjuan;Li Ming;Lu Jun;Ma Huairang   

  1. Department of Chemistry, Northwest University,Xi'an(710069)
  • Published:2002-08-15

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被引次数

1

二茂铁磺酰氯与邻甲基苯胺反应合成了N-（邻甲基苯基）二茂铁磺酰胺，通过 元素分析、红外光谱和~1H NMR， ~（13）C NMR对产物结构进行了表征，并对晶体 结构进行了测定。结果表明该化合物为单斜晶系、空间群P2_l/c，晶胞参数a = 1. 0436(2) nm, b = 1.2377(3) nm, c = 1.2643(3) nm, β = 107.42(1)°, V = 1. 5581(6)°, Z = 4, D_c = 1.514 g/cm~3, μ = 1.106 mm~(-1), F(000) = 736, R_1 = 0.0470, wR_2 = 0.0580。采用Gaussian98W软件对此化合物的结构进行了 优化，得到理论结构模型，并与所测量的结构进行了比较。通过热分解实验研究了 该化合物的热稳定性。

关键词: 二茂铁 P, 磺酰胺 P, 晶体结构, 热分解, 红外分光光度法, 结构表征, 热稳定性

N-(o-methylphenyl) ferrocenesulfonamide was synthesized by the reaction of ferrocenesulfonyl chloride with o-toluidine. The compound was characterized by elemental analysis. IR, and ~1H NMR, ~(13)C NMR. The crystal structure was determined by X-ray diffraction. The crystal belongs to monoclinic with space group P2_l/c, a = 1.0436(2) nm, b = 1. 2377(3) nm, c = 1.2643(3) nm, β = 107.42(1)°, Z = 4, V = 1.5581(6) nm~3, D_c = 1.514 g/cm~3, μ = 1.106 mm~(-1), F(000) = 736, R_1 = 0. 0470, wR_2 = 0.0580. The optimized structure was obtained by Gaussian 98W, and compared with experimental result. Thermal decomposition of the title compound has also been studied. The DSC, TG and DTG curves of the compound are given and interpreted.

Key words: FERROCENE P, SULFAMIDE P, CRYSTAL STRUCTURE, THERMAL DECOMPOSITION, IR, STRUCTURE CHARACTERISTICS, THERMAL STABILITY

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