| 209250-77-1

• CAS: 209250-77-1
• 化学式: C₁₆H₃₆N*C₃₇H₂₁N₁₀O₂Ru
• 分子量: 981.178
• InChiKey: HQPYRKAUWZQBJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  盐酸 、 以 not given 为溶剂， 生成 chlororuthenium(3+);2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;nitroxyl anion
  参考文献：
  名称：

  Darstellung und Eigenschaften von (Acido)(pyridin)phthalocyaninato(2-)ruthenaten(II); Kristallstruktur von Tetra(n-butyl)ammonium(cyano)(pyridin)phthalocyaninato(2-)ruthenat(II)

  摘要：

  Bis(tetra(n-butyl)ammonium bis(acido)phthalocyaninato(2-)ruthenate(II) reacts in boiling pyridine to yield blue purple, diamagnetic tetra(n-butyl) ammonium (acido)(pyridine)phthalocyaninato(2-)rut ((Bu4N)-Bu-n) [Ru(X)(py)pc(2-)] (X = CN, N-3, NCS, NCO, NO2). ((Bu4N)-Bu-n) [Ru(CN)(py)pc(2-)] crystallizes in the orthorhombic space group Pca2(1) (no. 29) with cell parameters a = 28.319(5) Angstrom, b = 29.850(3) Angstrom, c = 24.566(7) Angstrom, Z = 16, with four crystallographically independent complex anions present in the unit cell. Each Ru atom is located outside the centre (Ct) of the corresponding (N-iso)(4) plane (N-iso: isoindoline N atom) and coordinates axially pyridine and cyanide in a mutual trans position. The largest vertical displacement of the Ru atom from the (N-iso)(4) plane towards cyanide (d(Ru-Ct)) is 0.020 Angstrom. The Ru-N-iso distance varies from 1.947(2) to 1.992(2) Angstrom. The average Ru-C and Ru-N-py distance is 2.00 Angstrom and 2.19 Angstrom, respectively. The pc(2-) ligand ist slightly distorted towards the cyanide. The cyclic and differential pulse voltammograms of ((Bu4N)-Bu-n)[RU(X)(py)pc(2-)] exhibit the first quasi-reversible one-electron process (in V) at 0.46 (X = CN), 0.34 (N-3), 0.40 (NCO), 0.47 (NO2), 0.50 V (NCS) and the second, independent of X, at approximately 1.05 V. The first process is metal directed, the second ring directed. The electronic absorption spectra and the vibrational spectra of ((Bu4N)-Bu-n)[Ru(X)(py)pc(2-)] are discussed.

  DOI：

  10.1002/(sici)1521-3749(199805)624:5<846::aid-zaac846>3.0.co;2-f
• 作为产物：
  描述：

  吡啶 、 bis(tetra(n-butyl)ammonium)-di(nitro(N))phthalocyaninato(2-)ruthenate(II) 以 吡啶 为溶剂， 生成
  参考文献：
  名称：

  Darstellung und Eigenschaften von (Acido)(pyridin)phthalocyaninato(2-)ruthenaten(II); Kristallstruktur von Tetra(n-butyl)ammonium(cyano)(pyridin)phthalocyaninato(2-)ruthenat(II)

  摘要：

  Bis(tetra(n-butyl)ammonium bis(acido)phthalocyaninato(2-)ruthenate(II) reacts in boiling pyridine to yield blue purple, diamagnetic tetra(n-butyl) ammonium (acido)(pyridine)phthalocyaninato(2-)rut ((Bu4N)-Bu-n) [Ru(X)(py)pc(2-)] (X = CN, N-3, NCS, NCO, NO2). ((Bu4N)-Bu-n) [Ru(CN)(py)pc(2-)] crystallizes in the orthorhombic space group Pca2(1) (no. 29) with cell parameters a = 28.319(5) Angstrom, b = 29.850(3) Angstrom, c = 24.566(7) Angstrom, Z = 16, with four crystallographically independent complex anions present in the unit cell. Each Ru atom is located outside the centre (Ct) of the corresponding (N-iso)(4) plane (N-iso: isoindoline N atom) and coordinates axially pyridine and cyanide in a mutual trans position. The largest vertical displacement of the Ru atom from the (N-iso)(4) plane towards cyanide (d(Ru-Ct)) is 0.020 Angstrom. The Ru-N-iso distance varies from 1.947(2) to 1.992(2) Angstrom. The average Ru-C and Ru-N-py distance is 2.00 Angstrom and 2.19 Angstrom, respectively. The pc(2-) ligand ist slightly distorted towards the cyanide. The cyclic and differential pulse voltammograms of ((Bu4N)-Bu-n)[RU(X)(py)pc(2-)] exhibit the first quasi-reversible one-electron process (in V) at 0.46 (X = CN), 0.34 (N-3), 0.40 (NCO), 0.47 (NO2), 0.50 V (NCS) and the second, independent of X, at approximately 1.05 V. The first process is metal directed, the second ring directed. The electronic absorption spectra and the vibrational spectra of ((Bu4N)-Bu-n)[Ru(X)(py)pc(2-)] are discussed.

  DOI：

  10.1002/(sici)1521-3749(199805)624:5<846::aid-zaac846>3.0.co;2-f