samarium(III)(N,N-diethyldithiocarbamate)3(2,2'-bipyridyl) | 152046-30-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: samarium(III)(N,N-diethyldithiocarbamate)3(2,2'-bipyridyl)
• 英文别名: Sm(Et2Dtc)3(bipy)；Sm(N,N-diethyldithiocarbamate)3(2,2'-bipyridyl)；[Sm(diethyldithiocarbamato)3(2,2'-bipyridine)]；[Sm(2,2'-bipyridine)(N,N-diethyldithiocarbamate)3]；[Sm(bipy)(Et2dtc)3]；N,N-diethylcarbamodithioate;2-pyridin-2-ylpyridine;samarium(3+)
• CAS: 152046-30-5
• 化学式: C₂₅H₃₈N₅S₆Sm
• 分子量: 751.366
• InChiKey: CNGICUVCPWKWLH-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 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：

  samarium(III)(N,N-diethyldithiocarbamate)3(2,2'-bipyridyl) 在 hydrogen 作用下， 以 neat (no solvent) 为溶剂， 生成 samarium dioxosulfide
  参考文献：
  名称：

  一种新的连续两步分子前体路线制备稀土氧硫化物Ln 2 O 2 S

  摘要：

  设计了一个连续的两步式分子前体途径，用于制备稀土氧硫化物Ln 2 O 2 S（Ln = Y，La，Pr，Nd，Sm-Lu）。该新路线涉及第一步氧化步骤，该氧化步骤导致了稀土氧硫酸盐Ln 2 O 2 SO 4，随后通过切换至H 2 -Ar气氛而还原为稀土氧硫化物Ln 2 O 2 S。整个过程的温度大大低于通常的固态合成（T≤650°C），避免使用危险的硫基气体，为合成整个Ln 2 O 2 S系列提供了便捷的途径。分子前体由杂二硫代氨基甲酸酯复合物组成[ Ln（Et 2 dtc）3（phen）]和[ Ln（Et 2 dtc）3（bipy）]（Et 2 dtc = N，N-二乙基二硫代氨基甲酸酯; phen = 1,10-菲咯啉; bipy = 2,2'-联吡啶）并通过a新的高产高纯度合成路线。分子前体的性质决定了最低合成温度，因此影响了最终Ln 2 O的纯度2 S结晶相。

  DOI：

  10.1016/j.jssc.2012.03.017
• 作为产物：
  描述：

  2,2'-联吡啶 、 samarium(III) nitrate hexahydrate 、 二乙基二硫代氨基甲酸二乙铵盐 以 乙腈 为溶剂， 以80%的产率得到samarium(III)(N,N-diethyldithiocarbamate)3(2,2'-bipyridyl)
  参考文献：
  名称：

  Luminescence of Ln(III) Dithiocarbamate Complexes (Ln = La, Pr, Sm, Eu, Gd, Tb, Dy)

  摘要：

  We have discovered room temperature photoluminescence in SM3+ and Pr3+ dithiocarbamate complexes. Surprisingly, these complexes exhibit more intense emission than those of the Eu3+, Tb3+, and Dy3+ analogues. The electronic absorption, excitation, and emission spectra are reported for the complexes [Ln(S2CNR2)(3)L] and NH2Et2[Ln(S2CNEt2)(4)], where Ln = Sm, Pr; R = ethyl, butyl, benzyl; and L = 1,10-phenanthroline, 2,2'-bipyridine, and 5-chloro-1,10-phenanthroline. The lowest ligand-localized triplet energy level (T-1) of the complexes are determined from the phosphorescence spectra of analogous La3+ and Gd3+ chelates. The luminescence decay curves were measured to determine the excited-state lifetimes for the Pr3+ and Sm3+ complexes. X-ray crystal structures of Sm((S2CNBu2)-Bu-i)(3)phen, Pr(S2CNEt2)(3)phen, and Pr((S2CNBu2)-Bu-i)(3)phen are also reported.

  DOI：

  10.1021/ic701974q

文献信息

• Synthesis, properties and structure of lanthanide complexes with N,N-diethyldithiocarbamate and 2,2′-bipyridyl
  作者：Chengyong Su、Ning Tang、Minyu Tan、Kaibei Yu

  DOI：10.1016/0277-5387(95)00247-p

  日期：1996.1

  Sm-Lu, Y; Et 2 Dtc = N,N-diethyldithiocarbamate; bipy = 2,2′-bipyridyl) have been prepared and characterized by chemical analysis, IR spectra, electronic spectra and conductivity measurements. The crystal and molecular structures of [Er(Et 2 Dtc) 3 (bipy)] have been determined by single-crystal X-ray diffraction techniques. The central Er III atom is octa-coordinated and in a distorted dodecahedral

  摘要十四个通式为[M（Et 2 Dtc）3（bipy）]的新三元配合物（M = La，Pr，Nd，Sm-Lu，Y; Et 2 Dtc = N，N-二乙基二硫代氨基甲酸酯; bipy = 2，已经制备了2'-联吡啶基，并通过化学分析，红外光谱，电子光谱和电导率测量对其进行了表征。[Er（Et 2 Dtc）3（bipy）]的晶体和分子结构已通过单晶X射线衍射技术确定。中心的Er III原子是八配位的，并且具有扭曲的十二面体几何形状，与三个Et 2 Dtc配体的六个硫原子和联比配体的两个氮原子配位。
• Systematic Behavior of Charge-Transfer Transitions and Energy Level Variation in Soft Donor Complexes of the Trivalent Lanthanides
  作者：G. K. Liu、M. P. Jensen、P. M. Almond

  DOI：10.1021/jp0558674

  日期：2006.2.1

  The systematic behavior of the charge-transfer (CT) energies in mixed 2,2'-bipyridyl (bipy), N,N-diethyldithiocarbamate (Et(2)dtc(-)) complexes of the trivalent lanthanides, Ln(Et(2)dtc)(3)(bipy), is investigated to understand the electronic structure of f-element complexes containing soft donor ligands. The energies of ligand to Ln(3+) CT are extremely low in this system, an effect attributed to the presence of the soft donor ligands. The lowest CT energy level for the Sm3+, Eu3+, and Yb3+ complexes falls into the visible range. In Eu(Et(2)dtc)(bipy), the Eu3+ ion becomes nonluminescent because the CT energy stretches below the metastable D-5(0) electronic state, whereas luminescence from the CT state and the 4f(13) F-2(5/2) state are observed in the Yb compound. The variation in the energy of the lowest level CT transition for the entire Ln(Et(2)dtc)(3)(bipy) series has been evaluated using the experimentally determined CT levels of the Sm3+, Eu3+, and Yb3+ compounds based on the systematic behavior of the lanthanides, which is invariant with respect to the type of ligand. The energy difference between the ground electronic states of the lanthanide ions and the ligand-centered valence band may also be calculated from these results.