tris(diethyldiselenocarbamato)iron(III) | 26024-33-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: tris(diethyldiselenocarbamato)iron(III)
• CAS: 26024-33-9
• 化学式: C₁₅H₃₀FeN₃Se₆
• 分子量: 782.03
• InChiKey: SAVZAPVJMXFQHU-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -0.74
• 重原子数：
  25.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  9.72
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tris(diethyldiselenocarbamato)iron(III) 、 氢碘酸 以 水 、 苯 为溶剂， 生成 bis(diethyldiselenocarbamato)iron(III) iodide
  参考文献：
  名称：

  A multinuclear (1H, 13C, 15N) NMR study of cis-halonitrosylbis(dithiocarbamato)iron(II) complexes: effect of replacement of S by Se

  摘要：

  The H-1 and proton-decoupled C-13 NMR spectra of several cis-Fe(NO)(E2CNR2)(2)X complexes (where R is an organic substituent, E = S and/or Se, and X = Cl-, Br- or I-) have been measured at room temperature in CDCl3, as well as the N-15 NMR spectrum (natural abundance) of cis-Fe(NO)(S2CN(C2H5)(2))(2)I. The two CE2 signals observed between 190 and 206 ppm in the (H-1) C-13 NMR spectra of these cis-Fe(NO)(E2CNR2)(2)X complexes provide an indication of the structural rigidity of these compounds in solution. The multiple C-13 NMR peaks observed for the four E2CN(CH2R)(2) alpha-carbons further support this rigidity. The C-13 NMR signal of the alpha-C atoms of the ligand is dependent on the proximate chalcogen, the second chalcogen of the ligand and the ligand atoms to which each of these is trans. The C-13 NMR spectra of the cis-Fe(NO)(E2CNR2)(2)X complexes are comparable to the spectra of the structurally similar cis-Fe(S2CNRR')(2)(CO)(2) complexes and give insight into the interpretation of the C-13 NMR spectra of the Co(SSeCNR2)(3) series. The {H-1} C-13 NMR spectrum of cis-Fe(SSeCN(C2H5)(2))(2)(CO)(2) is included for comparison. The H NMR spectra are complex; the diethyl derivative exhibits a complex multiplet which is interpreted as four overlapping ABX(3) systems for the NCH2(CH3) protons. The N-15 NMR spectrum of cis-Fe(NO)(S2CN(C2H5)(2))(2)I exhibits three peaks: 210.92, 209.09 and 29.28 ppm. This is interpreted as each dithiocarbamate ligand experiencing a different magnetic environment and the NO ligand. The N-15 NMR spectrum is compared to tetraethylthiuram disulfide, CO(S2CN(C2H5)(2))(3) and cis-Fe(S2CN(C2H5)(2))(2)(CO)(2) and is interpreted as indicating similar S2C-NRR' rotational barriers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.08.010
• 作为产物：
  描述：

  三氯化铁 在 diselenocarbamate inner salt 作用下， 以 乙醇 为溶剂， 生成 tris(diethyldiselenocarbamato)iron(III)
  参考文献：
  名称：

  关于三（二硒代氨基甲酸酯）铁（III）化合物的反常磁性能

  摘要：

  对一系列伪八面体[Fe（Se 2 CNR 2）3 ]化合物[R 2 =哌啶子基，吗啉代，硫代吗啉代，Bu 2，Et 2，（PhCH 2）2，（C 6 H 13）的扩展磁性研究2和MePh]已在90–400 K制备。不含铁，Se（Se 2 CNEt 2）2，Se [Se 2 CN（CH 2 Ph）2 ] 2和（Se 2 CNMePh）2的抗磁性化合物。，也被分离出来，它们的存在可以解释先前报道的[Fe（Se 2 CNR 2）3 ]化合物的低自旋分类。所报告的测量结果表明，这些化合物的磁行为异常，其µ值通常在6 A 1和2 T 2态的典型极限值之间。利用范·弗莱克方程式对实验值进行处理，可以评估交叉参数，并与二硫代氨基甲酸酯衍生物进行了全面比较。讨论了取代基对配体氮原子对自旋平衡位置的影响。

  DOI：

  10.1039/dt9770001566