[(LiPd(4-(5-nonyl)pyridine)Me(PhP(2-SO3Li-5-MeC6H3)2))4] | 1204317-79-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: [(LiPd(4-(5-nonyl)pyridine)Me(PhP(2-SO3Li-5-MeC6H3)2))4]
• CAS: 1204317-79-2
• 化学式: C₁₄₀H₁₇₂Li₄N₄O₂₄P₄Pd₄S₈
• 分子量: 3128.79
• InChiKey: XHJOLDKIFYVXRW-UHFFFAOYSA-F

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

• 作为反应物：
  描述：

  [(LiPd(4-(5-nonyl)pyridine)Me(PhP(2-SO3Li-5-MeC6H3)2))4] 、 4,7,13,18-四氧杂-1,10-二氮杂二环[8.5.5]二十烷 以 not given 为溶剂， 生成 Li(Krypt211)[Pd(4-(5-nonyl)pyridine)Me(PhP(2-SO3Li-5-MeC6H3)2-κ2P,O)]
  参考文献：
  名称：

  Self-Assembled Tetranuclear Palladium Catalysts That Produce High Molecular Weight Linear Polyethylene

  摘要：

  The phosphine-bis-arenesulfonate ligand PPh((2)-SO3Li-4-Me-Ph)(2) (Li-2[OPO]) coordinates as a kappa(2)-P,O chelator in Li[(Li-OPO)PdMe(Cl)] (2a) and (Li-OPO)PdMe(L) (L = pyridine (2b); MeOH (2d); 4-(5-nonyl)pyridine) (py', 3)). 2a reacts with AgPF6 to form (Li-OPO)PdMe}(n) (2c). Photolysis of 2d yields {(OPO)Pd}(2) (5) in which the [OPO](2-) ligand coordinates as a kappa(3)-O P,O pincer. 3 self-assembles into a tetramer in which four (Li-OPO)PdMe(py') units are linked by Li-O bonds that form a central Li4S4O12 cage. The Pd centers are equivalent but are spatially separated into two identical pairs. The Pd-Pd distance within each pair is 6.04 angstrom. IR data (nu(ArSO3)region) suggest that the solid state structures of 2a-c are similar to that of 3. 3 reacts with the cryptand Krypt211 to form [Li(Krypt211)][(OPO)PdMe(py')] (4). 3 is in equilibrium with a monomeric (Li-OPO)PdMe(py') species (3') in solution. 2a-c and 3 produce polyethylene (PE) with high molecular weight and a broad molecular weight distribution, characteristic of multisite catalysis. Under conditions where the tetrameric structure remains substantially intact, the PE contains a substantial high molecular weight fraction, while, under conditions where fragmentation is more extensive, the PE contains a large low molecular weight fraction. These results suggest that the tetrameric assembly gives rise to the high molecular weight polymer. In contrast, the monomeric complex 4, which contains a free pendant sulfonate group that can bind to Pd, oligomerizes ethylene to a Schultz-Flory distribution of C-4-C-18 oligomers.

  DOI：

  10.1021/ja909473y
• 作为产物：
  描述：

  4-(1-丁戊基)吡啶 、 (LiPdMe(PhP(2-SO3Li-5-MeC6H3)2))n 以 CH₂Cl₂ 为溶剂， 生成 [(LiPd(4-(5-nonyl)pyridine)Me(PhP(2-SO3Li-5-MeC6H3)2))4]
  参考文献：
  名称：

  Self-Assembled Tetranuclear Palladium Catalysts That Produce High Molecular Weight Linear Polyethylene

  摘要：

  The phosphine-bis-arenesulfonate ligand PPh((2)-SO3Li-4-Me-Ph)(2) (Li-2[OPO]) coordinates as a kappa(2)-P,O chelator in Li[(Li-OPO)PdMe(Cl)] (2a) and (Li-OPO)PdMe(L) (L = pyridine (2b); MeOH (2d); 4-(5-nonyl)pyridine) (py', 3)). 2a reacts with AgPF6 to form (Li-OPO)PdMe}(n) (2c). Photolysis of 2d yields {(OPO)Pd}(2) (5) in which the [OPO](2-) ligand coordinates as a kappa(3)-O P,O pincer. 3 self-assembles into a tetramer in which four (Li-OPO)PdMe(py') units are linked by Li-O bonds that form a central Li4S4O12 cage. The Pd centers are equivalent but are spatially separated into two identical pairs. The Pd-Pd distance within each pair is 6.04 angstrom. IR data (nu(ArSO3)region) suggest that the solid state structures of 2a-c are similar to that of 3. 3 reacts with the cryptand Krypt211 to form [Li(Krypt211)][(OPO)PdMe(py')] (4). 3 is in equilibrium with a monomeric (Li-OPO)PdMe(py') species (3') in solution. 2a-c and 3 produce polyethylene (PE) with high molecular weight and a broad molecular weight distribution, characteristic of multisite catalysis. Under conditions where the tetrameric structure remains substantially intact, the PE contains a substantial high molecular weight fraction, while, under conditions where fragmentation is more extensive, the PE contains a large low molecular weight fraction. These results suggest that the tetrameric assembly gives rise to the high molecular weight polymer. In contrast, the monomeric complex 4, which contains a free pendant sulfonate group that can bind to Pd, oligomerizes ethylene to a Schultz-Flory distribution of C-4-C-18 oligomers.

  DOI：

  10.1021/ja909473y