cis-[Pd(1,2-bis(diphenylphosphino)ethane)(pyrimidine-2-thiolate)2] | 1147863-04-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: cis-[Pd(1,2-bis(diphenylphosphino)ethane)(pyrimidine-2-thiolate)2]
• 英文别名: cis-[Pd(1,2-bis(diphenylphosphino)ethane)(pyrimidine-2-thiolate)₂]；[Pd(1,2-bis(diphenylphosphino)ethane)(η1-S-pyrimidine-2-thiolate)2]；Pd(S-pyrimidin-2-thiolate)2(1,2-bis(diphenylphosphino)ethane)；[Pd(dppe)(η1-S-pymS)2]
• CAS: 1147863-04-4
• 化学式: C₃₄H₃₀N₄P₂PdS₂
• 分子量: 727.139
• InChiKey: VZZLQCFTLWERPG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.01
• 重原子数：
  43.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  51.56
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1,2-双(二苯基膦)乙烷 在 NaOH 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 生成 cis-[Pd(1,2-bis(diphenylphosphino)ethane)(pyrimidine-2-thiolate)2]
  参考文献：
  名称：

  PdII/PtII 复合物中嘧啶-2-硫酮的可变键合模式 [M(η2-N, S-pymS)(η1-S-pymS)(PPh3)] 和 [M(η1-S-pymS)2(LL) ] (LL = dppm, dppe)

  摘要：

  在三苯基膦和双（二苯基膦）烷烃 Ph2P-(CH2)m-PPh2 (m = 1, 2) 存在下，嘧啶-2-硫酮 (HpymS) 与 PdII/PtIV 盐的反应产生了两种类型的配合物，即。a) [M(η2-N, S-pymS)(η1-S-pymS)(PPh3)] (M = Pd, 1; Pt, 2), 和 (b) [M(η1-S-pymS)2 (LL)] {LL, M = dppm (m = 1) Pd, 3; 铂, 4; dppe (m = 2), Pd, 5; 铂，6}。配合物已通过元素分析 (C、H、N)、核磁共振光谱 (1H、13C、31P) 和单晶 X 射线晶体学 (1、2、4 和 5) 进行表征。配合物 1 和 2 具有末端 η1-S 和螯合 η2-N，pymS− 的 S 模式，而其他 Pd/Pt 配合物仅具有末端 η1-S 模式。溶液状态的 31P NMR 光谱数据揭示了配合物

  DOI：

  10.1002/zaac.200700482

文献信息

• Neutral mononuclear luminescent Pd(II) complexes with heterocyclic thiolate ligands and chelating phosphines. Structural and photophysical assignments
  作者：P.A. Papanikolaou、A.G. Papadopoulos、A. Hatzidimitriou、P. Aslanidis

  DOI：10.1016/j.poly.2015.04.007

  日期：2015.7

  Two heterocyclic thiolate ligands, namely pymt and py2S (pymt = pyrimidine2-thiolate and py2S = pyridine-2-thiolate) and the diphosphines bis(diphenylphosphino)methane (dppm), 1,2-bis (diphenylphosphino)ethane (dppe), 1,3-bis(diphenylphosphino)propane (dppp), were used in the synthesis of three neutral Pd(II) complexes (cis-[Pd(dppm)(pymt)(2)] (1), cis-[Pd(dppe)(pymt)(2)] (2) and cis-[Pd(dppp)(pyrt)(2)] (3)). Crystallographic analysis of the isolated complexes reveals their square planar arrangement and the coordination of the thiolate moieties through their exocyclic sulfur atom. The complexes absorb in the visible part of the spectrum through charge transfer transitions while after photoexcitation at 385 nm they appear to emit with a broad band located at 465 nm. (C) 2015 Elsevier Ltd. All rights reserved.
• Palladium and platinum pyrimidine-2-thionate complexes with diphosphines
  作者：Susana Miranda、Elena Cerrada、Asunción Luquin、Aránzazu Mendía、Mariano Laguna

  DOI：10.1016/j.poly.2012.05.031

  日期：2012.8

  [MCl2(P-P)] (M = Pd and Pt; P-P= dppe and dppm) reacts with NaC4H3SN2, in a 1:2 molar ratio at room temperature, to give [M(S-C4H3SN2)(2)(dppe)] [M = Pd (1); M = Pt, (2)], [Pd(S-C4H3SN2)(2)(dppm)(2)] (3) and trans-[Pt(S-C4H3SN2)(2)(dppm)] (5), as well as other by-products such as [Pd-2(S,N-C4H3SN2)(4)] (4) and trans-[Pt(S-C4H3SN2)(2)(PPh2Me)(2)] (6). A possible mechanism for the formation of 6, which requires cleavage of P-C bonds of the dppm ligands, is proposed. (c) 2012 Elsevier Ltd. All rights reserved.