Co(III)(TTP)(NH3)2(1+)*NO3(1-) | 1393564-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Co(III)(TTP)(NH3)2(1+)*NO3(1-)
• 英文别名: (NH3)2Co(meso-tetratolylporphyrinato)(NO3)
• CAS: 1393564-12-9
• 化学式: C₄₈H₄₂CoN₆*NO₃
• 分子量: 823.9
• InChiKey: LNEKSZRTTOXBMU-ZEZVWJHESA-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：

  (NH3)Co(TTP)(O2) 在 氧化亚氮 作用下， 生成 Co(III)(TTP)(NH3)2(1+)*NO3(1-)
  参考文献：
  名称：

  Nitric Oxide Dioxygenation Reaction by Oxy-Coboglobin Models: In-situ Low-Temperature FTIR Characterization of Coordinated Peroxynitrite

  摘要：

  The oxy-cobolglobin models of the general formula (NH3)Co(Por)(O-2) (Por = meso-tetra-phenyl and meso-tetra-p-tolylpoiphyrinato dianions) were constructed by sequential low temperature interaction of NH3 and dioxygen with microporous layers of Co-porphyrins. At cryogenic temperatures small increments of NO were introduced into the cryostat and the following reactions were monitored by the FTIR and UV-visible spectroscopy during slow warming. Upon warming the layers from 80 to 120 K a set of new IR bands grows with correlating intensities along with the consumption of the nu(O-2) band. Isotope labeling experiments with O-18(2), (NO)-N-15 and (NO)-O-18 along with DFT calculations provides a basis for assigning them to the six-coordinate peroxynitrite complexes (NH3)Co(Por)(OONO). Over the course of warming the layers from 140 to 170 K these complexes decompose and there are spectral features suggesting the formation of nitrogen dioxide NO2. Upon keeping the layers at 180-210 K the bands of NO2 gradually decrease in intensity and the set of new bands grows in the range of 1480, 1270, and 980 cm(-1). These bands have their isotopic counterparts when (NO)-N-15, O-18(2) and (NO)-O-18 are used in the experiments and certainly belong to the 6-coordinate nitrato complexes (NH3)Co(Por)(eta(1)-ONO2) demonstrating the ability of oxy coboglobin models to promote the nitric oxide dioxygenation (NOD) reaction similar to oxy-hemes. As in the case of lib, Mb and model iron-porphyrins, the six-coordinate nitrato complexes are not stable at room temperature and dissociate to give nitrate anion and oxidized cationic complex Co(III)(Por)(NH3)(1,2).

  DOI：

  10.1021/ja305774v