乙酰丙酮钐水合物 | 86322-73-8

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 中文名称: 乙酰丙酮钐水合物
• 英文名称: samarium acetylacetonate hydrate
• 英文别名: Sm(acac)3*xH2O；samarium(III) acetylacetonate hydrate；[Sm(acetylacetonate)3]*nH2O；tris(acetylacetonate)samarium(III)*99H2O；Sm(acetylacetonato)3*nH2O；Sm(acac)3*99H2O；Sm(acac)3*nH2O；(Z)-4-oxopent-2-en-2-olate;samarium(3+);hydrate
• CAS: 86322-73-8
• 化学式: C₁₅H₂₁O₆Sm*(x)H₂O
• 分子量: 465.7
• InChiKey: CDHHPUQJWXMQHC-KJVLTGTBSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -1.31
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  乙酰丙酮钐水合物 生成 tris(acetylacetonate)samarium(III)
  参考文献：
  名称：

  乙酰丙酮稀土：新的制备方法和新的配合物

  摘要：

  已经开发出新的制备方法并将其用于制备几种新的稀土乙酰丙酮稀土络合物。据报道无水钕和三乙酰丙酮euro的晶体形式和无水镧，钕，sa 、,、,和三乙酰丙酮ter的无定形形式。还制备了钕和euro配合物的一元衍生物。描述了配合物的光谱，物理和化学性质。观察到结晶和无定形无水化合物的性质存在明显差异。

  DOI：

  10.1016/0022-1902(77)80059-6
• 作为产物：
  描述：

  tris(acetylacetonate)samarium(III) 在 air 作用下， 以 neat (no solvent) 为溶剂， 生成 乙酰丙酮钐水合物
  参考文献：
  名称：

  Sergeev, G. B.; Zagorskii, V. V.; Kosolapov, A. M., Russian Journal of Inorganic Chemistry, 1985, vol. 30, p. 1827 - 1828

  摘要：

  DOI：
• 作为试剂：
  描述：

  碳酸二甲酯 、 苯酚 在 乙酰丙酮钐水合物 作用下， 反应 2.0h， 以20.21%的产率得到苯碳酸甲酯
  参考文献：
  名称：

  Aromatic carbonate, method of preparing the same, and polycarbonate prepared using the same

  摘要：

  从二烷基碳酸酯制备芳香碳酸酯的方法包括在至少一种由式1、式2或二者的组合表示的含钐催化剂存在下，使芳香羟基化合物和二烷基碳酸酯发生反应： SmX3  [式1] 其中每个X相同或不同，且独立地为C1到C10的烷氧基、C1到C10的烷基苯氧基或苯氧基，以及 其中R1和R2相同或不同，且独立地为氢或C1到C6的烷基。

  公开号：

  US08580996B2

文献信息

• Diphthalocyaninatolanthanum as a New Phthalocyaninato‐Dianion Donor for the Synthesis of Heteroleptic Triple‐Decker Rare Earth Element Crown‐Phthalocyaninato Complexes
  作者：Alexander G. Martynov、Olga V. Zubareva、Yulia G. Gorbunova、Sergey G. Sakharov、Sergey E. Nefedov、Fedor M. Dolgushin、Aslan Yu. Tsivadze

  DOI：10.1002/ejic.200700489

  日期：2007.10

  towards heteroleptic triple-decker crown-phthalocyaninato complexes [(15C5)4Pc]M[(15C5)4Pc]M(Pc) and (Pc)M[(15C5)4Pc]M(Pc) [where (15C5)4Pc2– = 2,3,9,10,16,17,24,25-tetrakis(15-crown-5)phthalocyaninato dianion; Pc2– = phthalocyaninato dianion; M = Sm, Tb, Dy, Tm and Y] has been developed. It utilises the application of diphthalocyaninatolanthanum, La(Pc)2, as a new source of the phthalocyaninato dianion

  一种合成杂配三层冠-酞菁络合物的新方法 [(15C5)4Pc]M[(15C5)4Pc]M(Pc) 和 (Pc)M[(15C5)4Pc]M(Pc) [其中 (15C5) 4Pc2– = 2,3,9,10,16,17,24,25-tetrakis(15-crown-5)酞菁二价阴离子；Pc2– = 酞菁二价阴离子；M = Sm、Tb、Dy、Tm 和 Y] 已开发。它利用二酞菁镧 La(Pc)2 作为酞菁二价阴离子的新来源，而不是众所周知的 Li2(Pc)。与高度吸湿的 Li2(Pc) 相比，La(Pc)2 在空气中非常稳定，使用它可以显着缩短反应时间。所有合成的配合物均通过 UV/Vis 和 1H NMR 光谱以及 MALDI TOF 质谱进行表征。确定了杂配三层冠-酞菁 (Pc)Sm[(15C5)4Pc]Sm(Pc) 的 X 射线结构。这些新的杂配酞菁配合物很有趣，因为它们有可能作为新超分子材料的组分。(©
• Novel approaches to model-free analysis of lanthanide-induced shifts, targeted to the investigation of contact term behavior
  作者：Alexander G. Martynov、Yulia G. Gorbunova、Aslan Yu. Tsivadze

  DOI：10.1039/c1dt10455a

  日期：——

  Three novel equations were proposed to perform graphical model-free analysis of lanthanide-induced shifts in NMR spectra of axially symmetrical complexes within Bleaney's T−2 expansion. Application and efficiency of these newly developed approaches were demonstrated on the example of heteroleptic triple-decker crown-phthalocyaninates (Pc)M[(15C5)4Pc]M(Pc), where (15C5) – 15-crown-5, (Pc2−) – phthalocyaninato-dianion, M = Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb and Y as diamagnetic reference. By construction of these equations, the proposed analytical techniques are more sensitive to variations of hyperfine coupling terms throughout lanthanide series, in comparison with previously developed approaches, becoming a valuable tool for the investigation of structural and electronic characteristics of lanthanide complexes.

  在布莱尼 T-2 扩展中，提出了三个新方程来对轴对称配合物核磁共振光谱中镧系元素诱导的位移进行无图形模型分析。这些新开发方法的应用和效率在异极三层冠酞菁(Pc)M[(15C5)4Pc]M(Pc)的例子中得到了证明，其中 (15C5) - 15-冠-5，(Pc2-) - 酞菁二元离子，M = Nd、Sm、Eu、Tb、Dy、Ho、Er、Tm、Yb 和 Y 作为二磁参考。通过构建这些方程，与之前开发的方法相比，所提出的分析技术对整个镧系元素系列中超频耦合项的变化更加敏感，成为研究镧系元素配合物结构和电子特性的重要工具。
• Synthesis, spectroscopic properties, and electrochemistry of heteroleptic rare earth double-decker complexes with phthalocyaninato and meso-tetrakis (4-chlorophenyl)porphyrinato ligands
  作者：Fanli Lu、Xuan Sun、Renjie Li、Dongbo Liang、Peihua Zhu、Chi-Fung Choi、Dennis K. P. Ng、Takamitsu Fukuda、Nagao Kobayashi、Ming Bai、Changqin Ma、Jianzhuang Jiang

  DOI：10.1039/b404998e

  日期：——

  A series of fourteen heteroleptic (phthalocyaninato)(porphyrinato) rare earth(III) double-decker complexes, [MIII(Pc)(TClPP)] [M = Y, La–Lu except Ce and Pm; Pc = phthalocyaninate; TClPP = meso-tetrakis(4-chlorophenyl)porphyrinate] has been prepared by base-promoted cyclization of phthalonitrile on the corresponding [MIII(TClPP)(acac)] (acac = acetylacetonate) as the template in refluxing n-octanol. The yields are highest for the mid-lanthanides, which have the optimum size to balance the stabilization due to π-π interactions and the destabilization due to axial compression of the two π systems. The whole series of double-decker complexes has been characterized by elemental analysis and a wide range of spectroscopic methods. The molecular structure of [GdIII(Pc)(TClPP)] has also been determined. All the electronic absorption bands are dependent on the size of the metal center, suggesting that all the transitions involve molecular orbitals with contributions from both Pc and TClPP ligands. This has been supported by a systematic investigation of the electrochemical properties of the whole series of complexes. All these studies indicate that there are substantial π-π interactions and the hole is mainly localized at the Pc ligand.

  一系列十四种杂配（酞菁）（卟啉）稀土（III）双层配合物，[MIII(Pc)(TClPP)] [M = Y，La–Lu，Ce 和 Pm 除外； Pc = 酞菁酸盐； TClPP = 内消旋四(4-氯苯基)卟啉酸酯]是通过邻苯二甲腈在相应的[MIII(TClPP)(acac)]上的碱促进环化制备的 (acac = 乙酰丙酮)作为回流正辛醇中的模板。中镧系元素的产率最高，其具有最佳尺寸来平衡由于 π-π 相互作用引起的稳定性和由于两个 π 系统的轴向压缩引起的不稳定。全系列双层复合体均已通过元素分析和多种光谱方法进行了表征。 [GdIII(Pc)(TClPP)] 的分子结构也已确定。所有电子吸收带都取决于金属中心的大小，这表明所有跃迁都涉及分子轨道，其中 Pc 和 TClPP 配体都有贡献。对整个系列配合物的电化学性质的系统研究支持了这一点。所有这些研究表明存在大量的 π-π 相互作用，并且空穴主要位于 Pc 配体处。
• Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Heteroleptic Tris(phthalocyaninato) Rare Earth Complexes
  作者：Yongzhong Bian、Lei Li、Daqi Wang、Chi‐Fung Choi、Diana Y. Y. Cheng、Pehua Zhu、Renjie Li、Jianmin Dou、Rongming Wang、Na Pan、Dennis K. P. Ng、Nagao Kobayashi、Jianzhuang Jiang

  DOI：10.1002/ejic.200400920

  日期：2005.7

  spectra of the samarium and lutetium analogs, in which four sets of signals appear for the inner Pc ring protons due to the special disposition of the neighboring Pc(α-OC 5 H 1 1 ) 4 ring. Electrochemical studies have revealed four one-electron oxidations and up to five one-electron reductions for these complexes. The dependence of the phthalocyanine Q band as well as the first and second oxidation

  三种杂配三(酞菁)稀土三层络合物[(Pc)M(Pc)MPc(α-OC 5 H 1 1 ) 4 }] [M = Sm, Gd, Lu; Pc = 酞菁酸酯；Pc(α-OC 5 H 1 1 ) 4 = 1,8,15,22-四(3-戊氧基)酞菁]已通过处理[MPc(a-OC 5 H 1 1 ) 4 }制备为外消旋混合物(acac)]，在回流的正辛醇中与双（酞菁）稀土双层复合物 [M(Pc) 2 ] 原位生成。钆和镥配合物的分子结构已通过单晶X射线衍射分析确定，两者均采用不对称结构[(Pc)M(Pc)M[Pc(α-OC 5 H 1 1 ) 4 }]。外部 Pc 和 Pc(a-OC 5 H 1 1 } 4 环明显呈圆顶状，而内部 Pc 环基本上是平面的。两个相邻 Pc 环之间的环对环分离，由两个 N 4 定义意思是飞机，从 [(Pc)Gd(Pc)GdPc(α-OC 5 H 1 1 ) 4 }]
• Mixed (porphyrinato)(phthalocyaninato) rare-earth(III) double-decker complexes for broadband light harvesting organic solar cells
  作者：Yong Li、Yongzhong Bian、Ming Yan、Prem S. Thapaliya、Daniel Johns、Xingzhong Yan、David Galipeau、Jianzhuang Jiang

  DOI：10.1039/c1jm11246e

  日期：——

  Solution-processed organic-inorganic hybrid bulk heterojunction solar cells with the capability of broadband solar photon harvesting over the ultraviolet-visible-near-infrared spectral range are developed. A series of mixed (porphyrinato)(phthalocyaninato) rare-earth double-decker complexes, [MIIIH(TClPP)Pc(α-OC4H9)8}] (1–7; M = Y, Sm, Eu, Tb, Dy, Ho, Lu; TClPP = meso-tetrakis(4-chlorophenyl)porphyrinate; Pc(α-OC4H9)8 = 1,4,8,11,15,18,22,25-octakis(1-butyloxy)phthalocyaninate) and [YIII(TClPP)(Pc)] (8, Pc = unsubstituted phthalocyaninate), along with a heteroleptic bis(phthalocyaninato) yttrium double-decker complex [YIIIH(Pc)Pc(α-OC4H9)8}] (9), are synthesized and utilized as broadband absorbers and electron donors (D), whereas N,N′-bis(1-ethylhexyl)-3,4:9,10-perylenebis(dicarbox-imide) (PDI) or [6,6]-phenyl-C61 butyric acid methyl ester (PCBM) is adopted as primary electron acceptor (A1). For suppressing the fatal back charge transfer at D/A1 interface, the D:A1 blend is fabricated within an in situ formed cheap inorganic network of nanoporous TiOx, which can act as a secondary electron acceptor (A2). For characterization of these structures, steady state spectroscopy, fluorescence dynamics, atomic force microscopy, current–voltage characteristics, and photoelectrical properties of the active materials or devices are investigated. Solar cells utilizing PDI as the primary acceptor show higher values in open circuit voltage, fill factor, and power conversion efficiency over those cells using PCBM as the primary acceptor. With a cell area of 0.36 cm2, good efficiencies of up to 0.82% are achieved by the aforementioned double-decker complex:PDI:TiOx blends under 1-sun air mass 1.5 global illumination. These results conclude that double-decker bis(tetrapyrrole) complexes are promising photovoltaic materials with tunable absorption and photophysical properties.

  本研究开发了溶液处理的有机-无机混合体异质结太阳能电池，该电池能够在紫外-可见光-近红外光谱范围内收集宽带太阳光子。一系列混合（卟啉）（酞菁）稀土双层配合物 [MIIIH(TClPP)PC(α-OC4H9)8}] （1-7；M = Y、Sm、Eu、Tb、Dy、Ho、Lu；TClPP = 中-四（4-氯苯基）卟啉酸盐；PC(α-OC4H9)8=1,4,8,11,15,18,22,25-八(1-丁氧基)酞菁酸盐)和[YIII(TClPP)(PC)]（8，PC=未取代的酞菁酸盐）、和异极双(酞菁)钇双层复合物[YIIIH(PC)PC(α-OC4H9)8}](9)被合成并用作宽带吸收体和电子供体(D)，而 N,N′-双(1-乙基己基)-3,4：9,10-perylenebis(dicarbox-imide) (PDI) 或 [6,6]-phenyl-C61 丁酸甲酯 (PCBM) 用作主要电子受体 (A1)。为了抑制 D/A1 界面的致命反向电荷转移，在原位形成的廉价无机纳米多孔 TiOx 网络中制造了 D:A1 混合物，它可以充当次级电子受体（A2）。为了表征这些结构，研究人员对活性材料或器件的稳态光谱、荧光动力学、原子力显微镜、电流-电压特性和光电特性进行了研究。与使用 PCBM 作为主受体的太阳能电池相比，使用 PDI 作为主受体的太阳能电池在开路电压、填充因子和功率转换效率方面显示出更高的数值。当电池面积为 0.36 平方厘米时，上述双层复合物：PDI：TiOx 混合物在 1 太阳空气质量 1.5 的全球光照条件下可实现高达 0.82% 的良好效率。这些结果得出结论，双层双（四吡咯）络合物是很有前途的光伏材料，具有可调的吸收和光物理性质。