oxomolybdenum(V) phthalocyaninato(2-) triiodide | 224293-00-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: oxomolybdenum(V) phthalocyaninato(2-) triiodide
• CAS: 224293-00-9
• 化学式: C₃₂H₁₆MoN₈O*I₃
• 分子量: 1005.19
• InChiKey: QYSKESBFQANVAG-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：

  碘 、 1,2-二氰基苯 、 molybdenum oxide 以 neat (no solvent) 为溶剂， 生成 oxomolybdenum(V) phthalocyaninato(2-) triiodide
  参考文献：
  名称：

  Synthesis, Structure, and Characterization of Oxomolybdenum(V) Phthalocyaninato(2−) Triiodide

  摘要：

  Crystals of oxomolybdenum(V) phthalocyaninto(2-) triiodide, MoOPcI3 (Pc = C32H16N82-) have been obtained directly in the reaction of o-dicyanobenzene with molybdenum oxide under a stream of iodine at 210 degrees C. MoOPcI3 crystallizes in space group Cmcm (No. 63) of the orthorhombic system with a = 14.441(3) Angstrom, b = 15.194(3) Angstrom, c = 14.085(3) Angstrom, and Z = 2. The crystals of MoOPcI3 are built up from separate units of MoOPc+ and I3(-), forming linear aggregates. The I-3(-) ions have been also detected by Raman spectroscopy. The magnetic susceptibility measurement versus temperature shows typical Curie-Weiss behavior. The effective magnetic moment (mu(eff) = 1.72 mu B) shows one unpaired electron. A single EPR line was observed. The value of g (1.9716) indicate that the unpaired electron is localized on molybdenum cation (d(1)). The temperature dependence of the conductivity of MoOPcI3 shows its metallic-like character (d sigma/dT < 0). At room temperature the conductivity equals (3.5-4) x 10(-2) Ohm(-1) cm(-1). The charge transport proceeds mainly along linear (MoOPcI3)(n) aggregates.

  DOI：

  10.1021/ic9900410