(pyridine)4Eu(pyridine-2-thiolate)2 | 171021-73-1

• 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: (pyridine)4Eu(pyridine-2-thiolate)2
• 英文别名: europium(2+);pyridine;pyridine-2-thiolate
• CAS: 171021-73-1
• 化学式: C₃₀H₂₈EuN₆S₂
• 分子量: 688.685
• InChiKey: LXYYRZBMOXBBES-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  39
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  四氢呋喃 、 2,2'-联吡啶 、 (pyridine)4Eu(pyridine-2-thiolate)2 以 四氢呋喃 为溶剂， 以77%的产率得到(2,2'-bipyridine)(THF)2Eu(pyridine-2-thiolate)2
  参考文献：
  名称：

  Europium Pyridinethiolates: Synthesis, Structure, and Thermolysis

  摘要：

  The transmetalation reaction of Hg(SPy)(2) (SPy = S-2-NC5H4) with Eu in pyridine gives the europium(II) pyridinethiolate coordination complex (py)(4)Eu(SPy)(2) (1) in 96% isolated yield. The reaction of 1 with BIPY in THF results in displacement of the pyridine ligands and the formation of the divalent coordination complex (BIPY)(TI-IF),Eu(SPy)2 (2). Low-temperature single-crystal X-ray diffraction experiments show that 1 and 2 are molecular 8 coordinate compounds. They are both intensely colored due to the presence of a visible europium-to-pyridine or europium-to-BTPY charge transfer (CT) absorption band. Trivalent [PEt(4)][Eu(SPy)(4)] (3) was prepared from the reaction of Eu/Hg amalgam with PySSPy in the presence of [PEt(4)][SPy]. X-ray diffraction analysis of 3 shows that all the pyridinechalcogenolate ligands are chelating the Eu(III) ion and there are three different eight coordinate isomers within the unit cell. Compound 3 is intensely colored because of a visible S-to-Eu CT absorption. At 500 degrees C, 3 decomposes to give EuS and a mixture of PySSPy, PySPy, EtSPy, and SPEt(3). Crystal data (Mo Ka, 153(5) K): 1, orthorhombic space group Pna2/1, a = 19.006(2) Angstrom, b = 9.724(5) Angstrom, c 15.592(5) Angstrom, z = 4; 2, monoclinic space group Cc, a 9.851(2) Angstrom, b = 16.817(3) Angstrom, c = 17.271(2) Angstrom, beta = 92.67(2)degrees, Z = 4; 3, monoclinic space group P2(1)/n, a = 15.043(3) Angstrom, b = 16.036(6) Angstrom, c 26.444(5) Angstrom, beta = 90.54(2)degrees, Z = 4.

  DOI：

  10.1021/ic00128a032
• 作为产物：
  描述：

  吡啶 、 氢化铕 、 Hg(pyridine-2-thiolate)2 以 吡啶 为溶剂， 以96%的产率得到(pyridine)4Eu(pyridine-2-thiolate)2
  参考文献：
  名称：

  Europium Pyridinethiolates: Synthesis, Structure, and Thermolysis

  摘要：

  The transmetalation reaction of Hg(SPy)(2) (SPy = S-2-NC5H4) with Eu in pyridine gives the europium(II) pyridinethiolate coordination complex (py)(4)Eu(SPy)(2) (1) in 96% isolated yield. The reaction of 1 with BIPY in THF results in displacement of the pyridine ligands and the formation of the divalent coordination complex (BIPY)(TI-IF),Eu(SPy)2 (2). Low-temperature single-crystal X-ray diffraction experiments show that 1 and 2 are molecular 8 coordinate compounds. They are both intensely colored due to the presence of a visible europium-to-pyridine or europium-to-BTPY charge transfer (CT) absorption band. Trivalent [PEt(4)][Eu(SPy)(4)] (3) was prepared from the reaction of Eu/Hg amalgam with PySSPy in the presence of [PEt(4)][SPy]. X-ray diffraction analysis of 3 shows that all the pyridinechalcogenolate ligands are chelating the Eu(III) ion and there are three different eight coordinate isomers within the unit cell. Compound 3 is intensely colored because of a visible S-to-Eu CT absorption. At 500 degrees C, 3 decomposes to give EuS and a mixture of PySSPy, PySPy, EtSPy, and SPEt(3). Crystal data (Mo Ka, 153(5) K): 1, orthorhombic space group Pna2/1, a = 19.006(2) Angstrom, b = 9.724(5) Angstrom, c 15.592(5) Angstrom, z = 4; 2, monoclinic space group Cc, a 9.851(2) Angstrom, b = 16.817(3) Angstrom, c = 17.271(2) Angstrom, beta = 92.67(2)degrees, Z = 4; 3, monoclinic space group P2(1)/n, a = 15.043(3) Angstrom, b = 16.036(6) Angstrom, c 26.444(5) Angstrom, beta = 90.54(2)degrees, Z = 4.

  DOI：

  10.1021/ic00128a032