Y isothiocyanate hydrate | 102512-25-4

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: Y isothiocyanate hydrate
• 英文别名: yttrium thiocyanate
• CAS: 102512-25-4
• 化学式: C₃H₁₀N₃O₅S₃Y*H₂O
• 分子量: 371.249
• InChiKey: MVGWFJVBBWLOQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
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• 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：

  Y isothiocyanate hydrate 在 air 作用下， 以 neat (no solvent, solid phase) 为溶剂， 生成 yttrium dioxysulfate
  参考文献：
  名称：

  Yttrium thiocyanate-based supramolecular architectures: Synthesis, crystal structures, and thermal properties

  摘要：

  The reaction of [Y(H2O)(5)(NCS)(3)]center dot H2O (1) with crown ether (18-crown-6) and KNCS in methanol afforded the complexes [Y(H2O)(4)(NCS)(3)]center dot 1.5(18-crown-6) (2) and [K(18-crown-6)(H2O)(1.25)](2n){[K(18-crown-6)](2)[Y(NCS)(6)]}(n)center dot n(NCS) (3). In mononuclear complex 1, yttrium has a coordination number 8 and forms the coordination unit YO5N3. Complexes 1 are linked by hydrogen bonds to form a framework. The crystal structure of 2 contains the centrosymmetric ensembles [Y(H2O)(4)(NCS)(3)](2)(18-crown-6)(3) formed via hydrogen bonds. In the crystal structure of 3, the [Y(NCS)(6)](3-) anions and the [K(18-crown-6)](+) cations form one-dimensional polymeric chains (-Y-NCS-K-)(n). The thermal behavior of compounds 1 and 2 was investigated. It was shown that the supramolecular assembly has an effect on the temperature range for the removal of coordinated water molecules from the thiocyanate complex. The oxidative decomposition of the acido ligands in 1 and 2 occurs in a similar way to give Y2O2SO4 as the final product (700 degrees C). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.07.005
• 作为产物：
  描述：

  barium hydroxide octahydrate 、 硫氰酸铵 、 yttrium(III) oxide 在 硫酸 作用下， 以 水 为溶剂， 生成 Y isothiocyanate hydrate
  参考文献：
  名称：

  异硫氰酸稀土水合物在氨基酸水溶液中的溶解积分热

  摘要：

  摘要 九种 RE(NCS) 3 · n H 2 O (n = 6 for RE = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Y)在甘氨酸水溶液中的溶解积分热，在丙氨酸水溶液中的九种 RE(NCS) 3 · n H 2 O（对于 RE = La、Pr、Nd，n = 7；对于 RE = Gd、Dy、Ho、Tm、Yb、Y，n = 6）和在丝氨酸水溶液中的十种 RE(NCS) 3 · n H 2 O（对于 RE = La、Pr、Nd，n = 7；对于 RE = Sm、Eu、Gd、Dy、Ho、Yb、Y，n = 6）溶液已在 298.15 ± 0.1 K 下进行量热测量。在上述测量中，RE(NCS) 3 · n H 2 O(c):氨基酸(c):H 2 O(l) 的摩尔比为 1:3 :600。Dy(NCS) 3 · 6H 2 O 在更稀的甘氨酸、丙氨酸和丝氨酸水溶液中的积分热也分别测量。此时，Dy(NCS)

  DOI：

  10.1016/0040-6031(93)85098-t

文献信息

• Thiocyanates of rare-earth elements with tetramethylphenanthroline
  作者：S. P. Petrosyants、A. B. Ilyukhin、Zh. V. Dobrokhotova、N. N. Efimov、V. M. Novotortsev

  DOI：10.1134/s1070328417060057

  日期：2017.6

  Molecular [M(NCS)3(H2O)(Me4Phen)2] · (Me4Phen) · 0.75EtOH and anionic [H(Me4Phen)][М(NCS)4(Me4Phen)2] complexes are synthesized using thiocyanates М(NCS)3 · 6H2O (M = Y, Eu, Tb) and 3,4,7,8-tetramethyl-1,10-phenanthroline (Me4Phen). The complexes are characterized by IR spectroscopy and elemental, X-ray phase, and X-ray diffraction analyses (CIF files CCDC no. 1498178–1498184). The thermoanalytical

  分子[M（NCS）3（H 2 O）（Me 4 Phen）2 ]·（Me 4 Phen）·0.75EtOH和阴离子[H（Me 4 Phen）] [М（NCS）4（Me 4 Phen）2 ]配合物是使用硫氰酸盐М（NCS）3 ·6H 2 O（M = Y，Eu，Tb）和3,4,7,8-四甲基-1,10-菲咯啉（Me4Phen）合成的。该复合物的特征在于红外光谱，元素，X射线相和X射线衍射分析（CIF文件，CCDC号1498178–1498184）。热分析研究表明，溶剂化物分子Me 4苯酚在195–250°C时位于分子复合物的内部配位域中。Eu和Tb配合物的磁行为受Ln离子的性质支配。
• Effect of the solvent on the reaction of a crown ether with yttrium thiocyanate
  作者：Svetlana Petrosyants、Zhanna Dobrokhotova、Andrey Ilyukhin、Vladimir Novotortsev

  DOI：10.1016/j.ica.2013.08.012

  日期：2013.11

  polyether. The central atom in compound 2 is coordinated by six oxygen atoms of the macrocycle and three nitrogen atoms of the thiocyanate ions. The coordination number of yttrium is 9. The solvent effect on the transition from endo- to exo-binding of 18-crown-6 with [Y(H2O)5(NCS)3] has been identified. The thermal behavior of complexes 1 and 2 has been studied. Dehydrated samples of 1 and 2 are not hygroscopic

  摘要[Y（H2O）5（NCS）3]· 与18-冠-6在乙腈（MeCN），四氢呋喃（thf），乙酸乙酯（EtOAc）和i-PrOH溶液中的一锅反应给出了迄今未知的完全脱水的化合物[Y（18-crown-6）（NCS）3]（1）和[Y（18-crown-6）（NCS）3]·nA（A = MeCN，thf，18 -crown-6）（2）与大环聚醚的内球配位。化合物2中的中心原子由大环的六个氧原子和硫氰酸根离子的三个氮原子配位。钇的配位数为9。已确定溶剂对18冠6与[Y（ ）5（NCS）3]从内结合到外结合的影响。已经研究了配合物1和2的热行为。1和2的脱水样品不吸湿，不水解，并在空气中稳定。化合物1和2的光致发光归因于硫氰酸根离子的T1→S0荧光。
• Associates of yttrium thiocyanate with ditopic phenanthroline
  作者：S. P. Petrosyants、A. B. Ilyukhin

  DOI：10.1134/s1070328414060050

  日期：2014.6

  Yttrium thiocyanate associates [Y(H2O)(5)(NCS)(3)] center dot H2O with 4,7-phenanthroline (4,7-Phen) were synthesized and structurally characterized. The monomeric yttrium complexes [Y(H2O)(7)(NCS)](NCS)(2) center dot 5(4,7-Phen) center dot 5(H2O), [Y(H2O)(5)(NCS)(3)] center dot 2(4,7-Phen) center dot 2(H2O), H(4,7-Phen)}(2)[Y(H2O)(7)(NCS)](NCS)(4) center dot 2(4,7-Phen) center dot 5(H2O) are mainly formed in the presence of 4,7-Phen. In the associates, there are no contacts of the ditopic molecules and yttrium; the 4,7-Phen molecules are combined by stacking interactions.