octamethylporphyrinato-nickel(II) | 22196-88-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: octamethylporphyrinato-nickel(II)
• CAS: 22196-88-9
• 化学式: C₂₈H₂₈N₄Ni
• 分子量: 479.247
• InChiKey: GPXJRAIEMARFHY-CQRWSDJFSA-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：

  2,3,7,8,12,13,17,18-octamethyl-porphyrin 、 nickel(II) acetate 以 甲醇 、 二氯甲烷 为溶剂， 生成 octamethylporphyrinato-nickel(II)
  参考文献：
  名称：

  Polarized Resonance Raman Spectroscopy Reveals Two Different Conformers of Metallo(II)octamethylchlorins in CS₂

  摘要：

  We have for the first time measured and analyzed the Raman spectra of the model hydroporphyrins nickel(II) and copper(II) 2,2,7,8,12,13,17,18-octamethylchlorin in CS2, A detailed spectral analysis of the fingerprint region of nickel(II) chlorin revealed that a band at 1654 cm(-1) is composed of two sublines at 1654 and 1662 cm(-1). A novel normal coordinate analysis based on a transferrable force field derived from nickel(II) porphin, propane, and 2,2-dimethylpropane revealed that the respective normal mode is comparable with the porphyrin mode nu(10) despite significant localization effects due to the reduction of a pyrrole ring. The resonance excitation profile of the low-frequency subline of nu(10) is red-shifted with respect to that at higher frequencies. Hence, the two sublines can be interpreted as resulting from the coexistence of a nonplanar (ruffled) and a more planar conformer. The analysis of the nu(10) band of the copper(II) octamethylchlorin revealed that it is also composed of two sublines. The frequencies obtained are 1639 and 1645 cm(-1). Thus, evidence is provided that copper(II) chlorins can exist in a nonplanar conformation. These results underscore the notion that even in the absence of any steric interactions between substituents and the presence of metals with an optimal ionic radius pyrrole reduction significantly destabilizes the pi-electron system of the porphyrin macrocycle.

  DOI：

  10.1021/jp9918858

文献信息

• Separation and identification of porphyrin biomarkers from a heavy crude oil Zaap-1 offshore well, Sonda de Campeche, México
  作者：Marcela Espinosa、Ubaldo S. Pacheco、Florentino Leyte、Ruben Ocampo

  DOI：10.1142/s108842461450028x

  日期：2014.7

  reported elsewhere [14]. The objective of this investigation was to isolate porphyrins isomers from a single heavy crude oil from the Sonda de Campeche area, in México, and is based on the modified reversed-phase high-performance liquid chromatography method (RP-HPLC) [9, 11, 12]. Forty vanadyl porphyrin isomers, such as nickel porphyrin complexes were successfully isolated for the first time from heavy crude

  从原油中分离金属卟啉化合物是一项艰巨的任务，特别是从油藏中分离出来。已知的络合物同源系列类型的硫卟啉 (E)、脱氧红硫卟啉 (DPEP)、四氢苯并脱氧红硫卟啉 (THBD)、苯并氧卟啉 (BE) 和苯并脱氧红硫卟啉 (BD) 的氧钒和镍卟啉，这些化合物在世界各地的原油中都有发现让它很难。这包括在墨西哥原油中发现的天然卟啉，例如来自墨西哥 Sonda de Campeche 的 Ixtal-101、Zaap-1 和 Ceh-1，主要系列 Etio 和 DPEP 的氧钒卟啉混合物也已在其他地方报道 [14]。这项调查的目的是从墨西哥 Sonda de Campeche 地区的单一重质原油中分离卟啉异构体，并且基于改进的反相高效液相色谱法 (RP-HPLC) [9, 11, 12]。40 种钒氧卟啉异构体，如镍卟啉配合物，首次成功地从重质原油 Zaap-1 中分离出来，通过一项详尽的工作，包括将