[(η4-1,5-cyclooctadiene)RhCl(1-(4-nitrophenyl)imidazole)] | 1235868-97-9

• 英文名称: [(η4-1,5-cyclooctadiene)RhCl(1-(4-nitrophenyl)imidazole)]
• CAS: 1235868-97-9
• 化学式: C₁₇H₁₉ClN₃O₂Rh
• 分子量: 435.715
• InChiKey: NUVLFQVZOFMUKZ-ONEVTFJLSA-M

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：

  1-(4-硝基苯)-1H-咪唑 、 chloro(1,5-cyclooctadiene)rhodium(I) dimer 以 二氯甲烷 为溶剂， 以81%的产率得到[(η4-1,5-cyclooctadiene)RhCl(1-(4-nitrophenyl)imidazole)]
  参考文献：
  名称：

  Synthesis and characterization of Ru(IV) and Rh(I) complexes containing phenylimidazole ligands

  摘要：

  The reactions of chloro-bridged dimeric complexes [{(eta(3);eta(3)-C10H16)Ru(mu-Cl)Cl}(2)] and [{(eta(4)-C8H12)RhCl}(2)] with 1-(4-cyanophenyl)imidazole (CPI), 1-(4-nitrophenyl) imidazole (NOPI), 1-(4-formylphenyl) imidazole(FPI) and 1-(4-hydroxy-phenyl) imidazole (HPI) have been investigated. These reactions afforded complexes with the general formulations [(eta(3);eta(3)-C10H16)RuCl2(L)] (L = CPI, 1; NOPI, 2; FPI, 3; HPI, 4) and [(eta(4)-C8H12)RhCl(L)] (L = CPI, 5; NOPI, 6; FPI, 7; HPI, 8). Resulting complexes have been characterized by analytical and spectral (IR, H-1 and C-13 NMR, UVeVis) studies. Crystal structures of 2, 5 and 6 have been determined by single crystal X-ray diffraction analyses. Structural studies on the complexes 2, 5 and 6 revealed the presence of extensive inter-and intra-molecular C-H center dot center dot center dot X (X = O and Cl) and CeH/ p interactions. Theoretical studies have been performed to authenticate the structures and NBO calculations to determine electronic properties of the complexes. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.04.023