samarium(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate) | 15492-50-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: samarium(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate)
• 英文别名: {Sm(2,2,6,6-tetramethyl-3,5-heptanedionate)3}；samarium tris(2,2,6,6-tetramethyl-3,5-heptanedionate)；tris(2,2,6,6-tetramethyl-3,5-heptanedionato)samarium(III)；Sm(2,2,6,6-tetramethyl-3,5-heptanedionato)3；tris(2,2,6,6-tetramethylheptane-3,5-dionato)samarium(III)；tris(dipivaloylmethanate)samarium(III)；Sm(thd)3；Samarium(III)-DPM；samarium(3+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
• CAS: 15492-50-9
• 化学式: C₃₃H₅₇O₆Sm
• 分子量: 700.172
• InChiKey: BLNADEWXAVQVRJ-LWTKGLMZSA-K

物化性质

• 熔点：
  191-193°C
• 沸点：
  250°C
• 稳定性/保质期：
  常温常压下稳定，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  5.68
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• TSCA：
  No
• 安全说明：
  S22,S24/25
• 储存条件：
  常温下应密闭避光保存，并置于通风干燥处。

反应信息

• 作为反应物：
  描述：

  samarium(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate) 以 neat (no solvent) 为溶剂， 生成 三氢化钐
  参考文献：
  名称：

  Temperature dependent rate constants for the reactions of gas phase lanthanides with N2O

  摘要：

  The reactivity of gas phase lanthanide (Ln) atoms (Ln=La–Yb with the exception of Pm) with N2O from 298 to 623 K is reported. Lanthanide atoms were produced by the photodissociation of Ln(TMHD)3 (TMHD=2,2,6,6-tetramethyl-3,5-heptanato ion) and detected by laser-induced fluorescence. Large variations in the reaction rate constants are observed. The bimolecular rate constants are described in Arrhenius form by k[Ce(1G4)]=(1.9±0.5)×10−10 exp(−0.8±0.8 kJ mol−1/RT); Pr(4I9/2), (3.6±1.2)×10−10 exp(−8.0±1.2 kJ mol−1/RT); Nd(5I4), (3.4±0.4)×10−10 exp(−8.8±0.5 kJ mol−1/RT); Sm(7F0), (3.2±1.1)×10−10 exp(−11.2±1.2 kJ mol−1/RT); Eu(8S7/2), (2.7±0.4)±10−10 exp(−12.7±0.5 kJ mol−1/RT); Gd(9D2), (2.0±0.3)×10−10 exp(−6.4±0.5 kJ mol−1/RT); Tb(6H15/2), (2.9±0.5)×10−10 exp(−10.9±0.6 kJ mol−1/RT); Dy(5I8), (3.4±0.8)×10−10 exp(−16.2±0.8 kJ mol−1/RT); Ho(4I15/2), (2.9±0.5)×10−10 exp(−17.1±0.6 kJ mol−1/RT); Er(3H6), (3.3±1.2)×10−10 exp(−18.4±1.2 kJ mol−1/RT); Tm(2F7/2), (3.5±0.6)×10−10 exp(−19.5±0.6 kJ mol−1/RT); Yb(1S0), (2.5±0.2)×10−10 exp(−20.2±0.3 kJ mol−1/RT) where the uncertainties represent ±2σ. The reaction barriers are found to correlate to the energy required to promote an electron out of the 6s subshell.

  DOI：

  10.1063/1.479336
• 作为产物：
  描述：

  2,2,6,6-四甲基-3,5-庚二酮 、 samarium(III) chloride hexahydrate 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 samarium(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate)
  参考文献：
  名称：

  [Dy(dpm)3]2 和 Dy(dpm)3 的晶体结构，镧系元素 (III) Tris-Dipivaloylmethanates 的发光和 X 射线荧光研究

  摘要：

  [Dy(dpm)3]2 (1) 在 155(2) K 的晶体结构（空间群 P21/n，a = 12.2191(3) Å，b = 27.6044(6) Å，с = 21.8615(5) Å , β = 105.172(1)°, V = 7116.9(3) Å3, Z = 4) 和 Dy(dpm)3 (2) 在 200(2) K（空间群 Pmn21, a = 17.8741(7) Å, b = 10.5639(4) Å, ñ = 9.8336(4) Å, V = 1856.78(13) Å3, Z = 2)。配合物 1 的结构类似于先前已知的二聚体填料 [Ln(dpm)3]2 (Ln = La, Pr, Nd, Eu, Gd, Tb)。配合物 2 与先前研究的分子配合物 Er(dpm)3 和 Lu(dpm)3 是同构的。在室温下，发现 Tb(dpm)3 的发光量子产率 (QY) 达到 77%，Dy(dpm)3

  DOI：

  10.1134/s0022476618030265

文献信息

• Two isostructural triboluminescent lanthanide complexes
  作者：William Clegg、Ian Sage、Iain Oswald、Peter Brough、Grant Bourhill

  DOI：10.1107/s0108270100011641

  日期：2000.11.15

  (4-Dimethylaminopyridine)tris(2,2,6,6-tetramethylheptane-3,5-dionato)terbium(III), [Tb(C11H19O2)(3)(C7H10N2)], and its samarium analogue, [Sm(C11H19O2)(3)(C7H10N2)], are isostructural. Their polar space group is consistent with observed second harmonic generation and with the involvement of piezoelectric charging in their intense triboluminescence properties, which are of interest for the development of damage sensors in composite materials. The metals display irregular seven-coordination by one substituted pyridine and three chelating diketonate ligands, bond lengths to Tb being shorter than those to Sm.

  (4-二甲基氨基吡啶)三[2,2,6,6-四甲基庚烷-3,5-二酮酸根]铽(III)，[Tb(C11H19O2)3(C7H10N2)]，及其钐类似物，[Sm(C11H19O2)3(C7H10N2)]，结构相同。它们的极性空间群与观测到的二次谐波生成一致，并与压电充电作用于其强烈的摩擦发光性质有关，这些性质对于复合材料中 Damage传感器的发展具有兴趣。金属通过一个取代吡啶和三个螯合二酮酸根配体表现出不规则的七配位，铽的键长比钐的短。
• Studies on the mixed ligand complexes of rare earths with dipivaloylmethane and pyrazine
  作者：M. Shameem Ansari、Naseer Ahmad

  DOI：10.1016/0022-1902(75)80838-4

  日期：1975.10

  The mixed ligand complexes, tris(dipivaloylmethanato) pyrazinates of trivalent lanthanide (except Ce, Pm and Lu) and yttrium ions were synthesised and characterised by elemental analyses, melting points, thermogravimetric analyses, magnetic moments, molar conductances and i.r. spectrum. The complexes are Ln(dpm)3Pz where Ln = trivalent lanthanide or yttrium ion, dpm = dipivaloylmethane and Pz = pyrazine

  合成了混合的配体配合物，三价镧系元素的三（对二戊酰甲酰氨基）吡嗪酸盐（Ce，Pm和Lu除外）和钇离子，并通过元素分析，熔点，热重分析，磁矩，摩尔电导和红外光谱对其进行了表征。络合物为Ln（dpm）3 Pz，其中Ln =三价镧系元素或钇离子，dpm =二戊酰甲烷，Pz​​ =吡嗪。熔点随着原子序数的增加而降低。在吡嗪在氮气下加热之前，失去了二戊酰甲烷。络合物是非电解质。磁矩是正常的。讨论了红外光谱。
• Preparation and X-ray crystal structure (for Ln = Sm) of (µ-phthalocyaninato)bis[di(2,2,6,6-tetramethylheptane-3,5-dionato)Ln^III](Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Y)
  作者：Hiroshi Sugimoto、Teruaki Higashi、Atsushi Maeda、Masayasu Mori、Hideki Masuda、Tooru Taga

  DOI：10.1039/c39830001234

  日期：——

  The reaction of dilithium phthalocyanine with tris(2,2,6,6-tetramethylheptane-3,5-dionato)LnIII(Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Y) affords a series of (µ-phthalocyaninato)(diketonato)4Ln2complexes; the X-ray crystal structure of the samarium compound shows that the phthalocyanine ligand bridges two samarium atoms each co-ordinated by two β-diketonato ligands, and important molecular parameters

  酞菁二锂与三（2,2,6,6-四甲基庚烷-3,5-dionato）Ln III（Ln = Sm，Eu，Gd，Tb，Dy，Ho，Er，Tm，Yb和Y）的反应提供一系列（µ -phthalocyaninato）（diketonato）4 Ln 2配合物；mar化合物的X射线晶体结构表明，酞菁配体桥接两个sa原子，每个atoms原子由两个β-二酮基配体配位，重要的分子参数包括Sm–O av 2.284（17），Sm–N av 2.656（ 16）和Sm–Sm平均3.627（3）Å。
• Enthalpies of adduct formation of some tris(dipivaloylmethanato)lanthanide complexes with 1,8-naphthyridine and bipyridyl
  作者：D.R. Dakternieks

  DOI：10.1016/0022-1902(76)80066-8

  日期：1976.1

  Enthalpy data are reported for the addition of bipyridyl and 1,8-napthyridine to a series of tris(dipivaloylmethanato) lanthanide complexes, [(CH3)3CCOCHCOC(CH3)3]3Ln, in benzene solution at 25°C. In all cases the reactions are exothermic and only 1:1 adducts are formed. There exists implicit evidence for the hydrolytic dissociation of the neutral LnL3 complexes in benzene solution.

  报道了在25°C的苯溶液中将联吡啶和1,8-萘啶添加到一系列三（二苯甲酰基甲酰氨基）镧系元素络合物[（CH 3）3 CCOCHCOC（CH 3）3 ] 3 Ln的焓数据。在所有情况下，反应都是放热的，仅形成1：1的加合物。有中性证据表明中性LnL 3配合物在苯溶液中发生水解离解。
• Mixed ligand complexes of trivalent lanthanide ions with β-diketones and heterocyclic amines and their use as possible shift reagents
  作者：Mohd Sayeed、Naseer Ahmad

  DOI：10.1016/0022-1902(81)80088-7

  日期：1981.1

  thermogravimetric analysis, and IR spectral studies. The trivalent lanthanide ions have a coordination number of ten in the series Ln(TFAA)3dipy·2H2O. Their avidity to enhance their coordination number is so great that een in the presence of three such bulky ligands as heptafluorooctane dione the Ln(fod)3 still coordinates with o-phen. Hexacoordinated trivalent lanthanides act as LIS reagents but it has been observed

  通式为Ln（TFAA）3 o-phen，Ln（TFAA）3 dipy·2H 2 O，Ln（dpm）3 im，Ln（dpm ）的三价镧系元素（Pm和Lu除外）和钇的六十种新络合物）3 pz和Ln（fod）3 o-phen，其中TFAA =三氟乙酰基丙酮-H，dpm = 2,2,6,6-四甲基3,5-庚烷二酮-H，fod = 1,1,1， 2,2,3,3-七氟，7,7-二甲基4,6-辛烷二酮-H，o-phen = 1,10-菲咯啉，dipy = 2,2'dipyridyl，im =咪唑和pz =吡唑，已通过元素分析，熔点，摩尔电导，磁化率，热重分析和红外光谱研究合成并表征。三价镧系离子在Ln（TFAA）系列中的配位数为103枇·2H 2 O.它们的亲合力，以提高他们的配位数是如此之大，在EEN的三个这样的大体积配体如heptafluorooctane存在二酮的LN（FOD）3仍然坐标与邻苯。六