[Gd(2,2'-bipyridine)(N,N-diethyldithiocarbamate)3] | 172044-49-4

• 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: [Gd(2,2'-bipyridine)(N,N-diethyldithiocarbamate)3]
• 英文别名: [Gd(diethyldithiocarbamate)3(2,2'-bipyridine)]；[Gd(diethyldithiocarbamato)3(2,2'-bipyridine)]；[Gd(2,2'-bipyridine)(Et2NCSS)3]；[Gd(bipy)(Et2dtc)3]；[Gd(bipy)(Ddtc)3]；N,N-diethylcarbamodithioate;gadolinium(3+);2-pyridin-2-ylpyridine
• CAS: 172044-49-4；1016636-23-9
• 化学式: C₂₅H₃₈GdN₅S₆
• 分子量: 758.256
• InChiKey: QGDJAJCQECKLGW-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  5.62
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [Gd(2,2'-bipyridine)(N,N-diethyldithiocarbamate)3] 在 hydrogen 作用下， 以 neat (no solvent) 为溶剂， 生成 gadolinium oxysulfide
  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 、 gadolinium(III) perchlorate hydrate 、 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[Gd(2,2'-bipyridine)(N,N-diethyldithiocarbamate)3]
  参考文献：
  名称：

  N，N-二乙基二硫代氨基甲酸酯和2,2'-联吡啶的镧系元素配合物的合成，性质和结构

  摘要：

  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。

  DOI：

  10.1016/0277-5387(95)00247-p

文献信息

• Photoluminescence of Europium(III) Dithiocarbamate Complexes:  Electronic Structure, Charge Transfer and Energy Transfer
  作者：Wagner M. Faustino、Oscar L. Malta、Ercules E. S. Teotonio、Hermi F. Brito、Alfredo M. Simas、Gilberto F. de Sá

  DOI：10.1021/jp056180m

  日期：2006.2.1

  For the first time, we observed photoluminescence in Eu(III) dithiocarbamate complexes at room temperature-more specifically in [Eu(Et2NCS2)(3)phen], [Eu(Et2NCS2)(3)bpy] and the novel [Eu(Ph2NCS2)(3)phen], where phen stands for 1,10-phenanthroline and bpy for 2,2'-bipyridine. Correlations between the electronic structure of the dithiocarbamate ligands on one hand, and covalency, intensity, and ligand field spectroscopic parameters on the other, could be established. Moreover, the relative values of the emission quantum efficiencies obtained for these complexes, as well as their dependence with temperature, could be satisfactorily described by a theoretical methodology recently developed.
• Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures
  作者：Rachel S. Selinsky、Jae Hyo Han、Elvin A. Morales Pérez、Ilia A. Guzei、Song Jin

  DOI：10.1021/ja104314c

  日期：2010.11.17

  EuS nanocrystals (NCs) were doped with Gd resulting in an enhancement of their magnetic properties. New EuS and GdS single source precursors (SSPs) were synthesized, characterized, and employed to synthesize Eu1-xGdxS NCs by decomposition in oleylamine and trioctylphosphine at 290 degrees C. The doped NCs were characterized using X-ray diffraction, transmission electron microscopy, and scanning transmission electron microscopy, which support the uniform distribution of Gd dopants through electron energy loss spectroscopy (EELS) mapping. X-ray absorption spectroscopy (XAS) revealed the dopant ions in Eu1-xGdxS NCs to be predominantly Gd3+. NCs with a variety of doping ratios of Gd (0 <= x < 1) were systematically studied using vibrating sample magnetometry and the observed magnetic properties were correlated with the Gd doping levels (x) as quantified with ICP-AES. Enhancement of the Curie temperature (T-C) was observed for samples with low Gd concentrations (x <= 10%) with a maximum T-C of 29.4 K observed for NCs containing 5.3% Gd. Overall, the observed T-C, Weiss temperature (theta), and hysteretic behavior correspond directly to the doping level in Eu1-xGdxS NCs and the trends qualitatively follow those previously reported for bulk and thin film samples.