tetraethylammonium bis[((2-carboxylatophenyl)azo)-1-naphthaldoximato]ferrate(III) | 173863-76-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: tetraethylammonium bis[((2-carboxylatophenyl)azo)-1-naphthaldoximato]ferrate(III)
• CAS: 173863-76-8
• 化学式: C₈H₂₀N*C₃₆H₂₂FeN₆O₆
• 分子量: 820.708
• InChiKey: GWLIHCJTKCCEAN-XFKXTBIHSA-J

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：

  、 四乙基氯化铵 、 三氯化铁 以 甲醇 为溶剂， 以76%的产率得到tetraethylammonium bis[((2-carboxylatophenyl)azo)-1-naphthaldoximato]ferrate(III)
  参考文献：
  名称：

  Carboxyl-Bonded Low-Spin Iron(III). Chemistry of a Family of Coordination Type cis-FeN₄O₂

  摘要：

  Three tridentate ligands H(2)PhL (Ar = Ph), H(2)ToL (Ar = p-tolyl), and H(2)NpL (Ar = alpha-naphthyl) of structural type HON=C(Ar)N=NC6H4CO2H have been synthesized. These (general abbreviation H(2)ArL) react with iron(III) chloride, affording the pink Et(4)N[Fe(ArL)(2)] (s = 1/2; mu(eff) = 1.98-2.04 mu(B)) in which azo oxime chelation ensures spin-pairing while carboxylate coordination stabilizes the trivalent state. The EPR spectra of the complexes in frozen dimethylformamide-toluene glass (77 K) are rhombic with g values in the range 1.997-2.173. The X-ray structure of Et(4)N[Fe(NpL)(2)]. H2O . CH2Cl2 has been determined, revealing meridional binding of the two ligands affording cis-FeN4O2 geometry. The effect of spin-pairing is expressed in the relatively short (similar to 1.90 Angstrom) Fe-O and Fe-N lengths. The water of crystallization is hydrogen-bonded to carboxyl O atoms. The iron(III)-iron(II) reduction potentials lie near -0.1 V vs SCE. Crystal data for Et(4)N[Fe(NpL)(2)]. H2O . CH2Cl2: crystal system triclinic, space group , a = 11.539(9) Angstrom, b = 13.306(13) Angstrom, c = 14.60(2) Angstrom, alpha = 89.30(9)degrees, beta = 82.65(9)degrees, gamma = 79.90(8)degrees, V = 2189(4) Angstrom(3), Z = 2, R = 6.59%, R(w) = 6.23%.

  DOI：

  10.1021/ic950976q