(η(6)-p-xylene)Fe(H)2(SiCl3)2 | 171003-01-3

• 英文名称: (η(6)-p-xylene)Fe(H)2(SiCl3)2
• CAS: 171003-01-3
• 化学式: C₈H₁₂Cl₆FeSi₂
• 分子量: 432.919
• InChiKey: YZAKOXUCBVGEBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  对二甲苯 、 三氯硅烷 、 铁粉 以 further solvent(s) 为溶剂， 以1%的产率得到(η(6)-p-xylene)Fe(H)2(SiCl3)2
  参考文献：
  名称：

  Unusual Iron(IV) Complexes: Metal Atom Syntheses and Studies of (.eta.6-arene)Fe(H)2(SiCl3)2 (Arene = Benzene, Toluene, p-Xylene)

  摘要：

  Iron atoms codeposited with excess arene (benzene, toluene, or p-xylene) at -196 or -78 degrees C yielded a brown matrix containing arene-solvated iron atoms. Treatment of this matrix with a limited amount of HSiCl3 produced novel Fe(IV) arene compounds. We have obtained and structurally characterized the following substances: 1, (eta(6)-benzene)Fe(H)(2)(SiCl3)(2), space group Pnma, a 15.244(2) Angstrom, b = 11.115(1) Angstrom, c = 8.309(1) Angstrom, Z = 4, V = 1407.9(5) Angstrom(3); 2, (eta(6)-toluene)Fe(H)(2)(SiCl3)(2), space group P2(1)/a, a = 12.232(2) Angstrom, b = 8.591(1) Angstrom, c = 13.873(2) Angstrom, beta = 92.66 (2)degrees, Z = 4, V = 1456.3 (6) Angstrom(3); 3, (eta(6)-p-xylene)Fe(H)(2)(SiCl3)(2), space group P2(1)/a, a = 8.323(1) Angstrom, b = 24.302(2) Angstrom, c = 8.627(1) Angstrom, beta = 116.541(9)degrees, Z = 4, V = 1561.2(7) Angstrom(3). In the NMR, the Si-29-H-1 coupling constants have been observed to be 15 Hz for all three compounds, dramatically lower than (1)J(Si-H) = 370 Hz for HSiCl3. The structural and NMR data show that the oxidative addition of H-SiCl3 to the Fe center is complete and these compounds are formally Fe(IV) dihydride derivatives. The interaction between arene and Fe is very strong; no arene exchange has been observed, even at elevated temperatures. Thermal decomposition appears to proceed by HSiCl3 reductive elimination. In addition, the first reaction of added ligands causes HSiCl3 elimination.

  DOI：

  10.1021/ic00125a031