bis(2,2'-bipyridine)aquapraseodymium(III) chloride etanol | 515879-77-3

• 英文名称: bis(2,2'-bipyridine)aquapraseodymium(III) chloride etanol
• CAS: 515879-77-3
• 化学式: C₂H₆O*C₂₀H₁₈Cl₃N₄OPr
• 分子量: 623.725
• InChiKey: VGUKGVRBLOLGBJ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  乙醇 、 2,2'-联吡啶 、 氯化镨(III) 水合物 以 乙醇 为溶剂， 生成 bis(2,2'-bipyridine)aquapraseodymium(III) chloride etanol
  参考文献：
  名称：

  Praseodymium complexes of 2,2′-bipyridine; the crystal and molecular structures of Pr(bipy)3(NCS)3, Pr(bipy)2(NO3)3, Pr(bipy)2Cl3(OH2)·EtOH and Pr(bipy)(S2CNEt2)3

  摘要：

  The structures of Pr(biPy)(3)(NCS)(3), Pr(bipy)(2)(NO3)(3), Pr(bipy)(2)Cl-3(OH2).EtOH and Pr(bipy)(S2CNEt2)(3) are reported. Pr(biPY)(3)(NCS)(3) has a monomeric structure with three N-bonded thiocyanates and three bidentate bipyridyl ligands, giving nine-coordinate praseodymium. Praseodymium is eight-coordinate in Pr(bipy)(2)Cl-3(OH2).EtOH and in Pr(bipy)(S2CNEt2)(3) whilst Pr(bipy)(2)(NO3)(3) is isostructural with the La, Nd and Lu analogues, having three bidentate nitrates and two bipyridyl ligands, affording 10-coordinate praseodymium. Factors affecting bond lengths in the compounds are discussed. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01359-1

文献信息

• Structural Systematics of Rare Earth Complexes. XIX (Hydrated) 1 : 2 Mononuclear Adducts of Lanthanoid(III) Chlorides with 2,2′-Bipyridine and 1,10-Phenanthroline
  作者：Lioubov I. Semenova、Allan H. White

  DOI：10.1071/ch98052

  日期：——

  Room-temperature single-crystal X-ray structure determinations are recorded for a number of adducts of hydrated lanthanoid(III) trichlorides with 2,2′-bipyridine (‘bpy’) and 1,10-phenanthroline (‘phen’), crystallized from water, methanol or ethanol solutions, containing mononuclear arrays with 1 : 2 Ln/bpy or phen stoichiometry. LaCl3/phen/H2O(1 : 3 : 9), [(phen)2La(OH2)5]Cl3.phen.4H2O, although of overall 1 : 3 LaCl3/phen stoichiometry, has a lattice phen; it is orthorhombic, Pnna, a 19·947(7), b 16·457(5), c 12·213(2) Å, Z = 4; conventional R on |F| was 0·030 for No 2567 ‘observed’ (I >3σ(I)) diffractometer reflections. LaCl3/phen/H2O/MeOH (1 : 2 : 6 : 1), [(phen)2La(OH2)5]Cl3.H2O.MeOH, is triclinic, P 1, a 19·060(3), b 9·252(3), c 8·994(3) Å, α 69·33(3), β 86·81(2), γ 89·66(2)°, Z = 2, R 0·037 for No 5452. LaCl3/bpy/H2O (1 : 2 : 6), [(bpy)2La(OH2)4Cl]Cl2.2H2O, is monoclinic, P 21/c, a 19·389(3), b 9·071(1), c 16·873(2) Å, β 114·10(1)°, Z = 4, R 0·029 for No 4699. All three of these complexes have a nine-coordinate [(N,N′-bidentate)2La(unidentate)5] coordination environment with quasi-2 symmetry; that of the remaining compounds following is eight-coordinate [(N,N′-bidentate)2Ln(unidentate)4]. LuCl3/phen/H2O (1 : 2 : 6), [(phen)2Lu(OH2)4]Cl3.2H2O, is monoclinic, C 2/c, a 11·045(7), b 17·660(6), c 14·474(9) Å, β 92·82(5)°, Z = 4, R 0·042 for No 1695, the Lu lying on a crystallographic 2 -axis. Crystals of LnCl3/phen/H2O(1 : 2 : 4), [(phen)2Ln(OH2)3Cl]Cl2.H2O (Ln = Dy, Er, Y), are triclinic, P 1, a≈ 12·6, b ≈ 10·5, c ≈ 10·4 Å, α ≈ 93·3, β ≈ 109·3, γ ≈ 96·8°, Z = 2, R 0·030, 0·040, 0·052 for No 4221, 5100, 2690 respectively. PrCl3/bpy/H2O/EtOH (1 : 2 : 1 : 0·5), [(bpy)2Pr(OH2)Cl3].½EtOH, is triclinic, P 1, a 13·331(3), b 10·734(2), c 9·758(2) Å, α 63·67(2), β 78·99(2), γ 71·24(2)°, Z = 2, R 0·033 for No 4596, while [(bpy)2Pr(OH2)2Cl2]Cl is monoclinic, C 2/c, a 15·921(15), b 11·314(8), c 14·114(8) Å, β 116·70(6)°, Z = 4, R 0·041 for No 2269. ErCl3/bpy/H2O(1 : 2 : 2 (also)), [(bpy)2Er(OH2)2Cl2]Cl, is cubic, I 23, a 26·032(4) Å, Z = 24, R 0·066 for No 1644. Crystals of LnCl3/phen/H2O/MeOH (1 : 2 : 1 : 1), [(phen)2Ln(OH2)Cl3].MeOH (Ln = La, Pr, Nd, Eu), are monoclinic, P 21/a, a ≈ 13·2, b ≈ 10·7, c ≈ 18·5 Å, β ≈ 102·1°, Z = 4, R 0·054, 0·032, 0·040, 0·054 for No 2872, 4792, 3179, 2847 respectively. LnCl3/bpy/H2O/EtOH (1 : 2 : 1 : 1), [(bpy)2Ln(OH2)Cl3].EtOH (Ln = Nd, Eu), are triclinic, P 1, a ≈ 11·3, b ≈ 10·9, c ≈ 10·4 Å, α ≈ 75·5, β ≈ 89·8, γ ≈ 78·0°, Z = 2, R 0·044, 0·056 for No 4979, 3596 respectively. LaCl3/bpy/EtOH (1 : 2 : 0·5) is binuclear [(bpy)2Cl2La(µ-Cl)2LaCl2(bpy)2].EtOH, monoclinic, P 21/c, a 9·6878(2), b 17·5696(3), c 16·1341(2) Å, β 123·10(1)°, Z = 2, R 0·033 for No 4256. A totally unsolvated array is found for YbCl3/bpy (1 : 2), [(bpy)2YbCl3], monoclinic, P 21/c, a 15·065(8), b 8·598(4), c 16·92(1) Å, β 112·46(5)°, Z = 4, R 0·032 for No 3548, in which, alone, the metal atom is seven-coordinate.

  本研究记录了水合三氯镧系元素与 2,2′-联吡啶（"bpy"）和 1,10-菲罗啉（"phen"）的一些加合物的室温单晶 X 射线结构测定结果，这些加合物是从水、甲醇或乙醇溶液中结晶出来的，含有 1 : 2 Ln/bpy 或 phen 配比的单核阵列。LaCl3/phen/H2O(1 : 3 : 9)、[(phen)2La(OH2)5]Cl3.phen.4 ，虽然总体上具有 1 : 3 的 LaCl3/phen 配比，但它的晶格为 phen；它是正菱形，Pnna，a 19-947(7)，b 16-457(5)，c 12-213(2)埃，Z = 4；对于第 2567 个 "观察到的"（I >3σ(I)）衍射仪反射，|F|上的常规 R 为 0-030。LaCl3/phen/ /MeOH (1 : 2 : 6 : 1)，[(phen)2La(OH2)5]Cl3. .MeOH，为三棱体，P 1，a 19-060(3)，b 9-252(3)，c 8-994(3)埃，α 69-33(3)，β 86-81(2)，γ 89-66(2)°，Z = 2，No 5452 的 R 0-037。LaCl3/bpy/ (1 : 2 : 6)，[(bpy)2La(OH2)4Cl]Cl2.2 ，单斜，P 21/c，a 19-389(3)，b 9-071(1)，c 16-873(2)埃，β 114-10(1)°，Z = 4，R 0-029 为 No 4699。所有这三种配合物都具有准 2 对称的九配位[(N,N′-二同位)2La(unidentate)5]配位环境；以下其余化合物的配位环境均为八配位[(N,N′-二同位)2Ln(unidentate)4]。LuCl3/phen/ (1 : 2 : 6)，[(phen)2Lu(OH2)4]Cl3.2 ，为单斜，C 2/c，a 11-045(7)，b 17-660(6)，c 14-474(9)埃，β 92-82(5)°，Z = 4，R 0-042 为 No 1695，Lu 位于晶体学 2 轴上。LnCl3/phen/ (1 : 2 : 4)、[(phen)2Ln(OH2)3Cl]Cl2. （Ln = Dy、Er、Y），呈三菱形，P 1，a≈12-6，b≈10-5，c≈10-4 Å，α≈93-3，β≈109-3，γ≈96-8°，Z = 2，R 0-030，0-040，0-052 分别为 No 4221，5100，2690。PrCl3/bpy/ /EtOH (1 : 2 : 1 : 0-5)，[(bpy)2Pr(OH2)Cl3]。½EtOH 为三菱形，P 1，a 13-331(3)，b 10-734(2)，c 9-758(2)埃，α 63-67(2)，β 78-99(2)，γ 71-24(2)°，Z = 2，R 0-033 为 No 4596、而[(bpy)2Pr(OH2)2Cl2]Cl 为单斜，C 2/c，a 15-921(15)，b 11-314(8)，c 14-114(8)埃，β 116-70(6)°，Z = 4，R 0-041，代表 No 2269。ErCl3/bpy/ (1 : 2 : 2 (也))，[(bpy)2Er(OH2)2Cl2]Cl，为立方体，I 23，a 26-032(4) Å，Z = 24，R 0-066 为 No 1644。LnCl3/phen/ /MeOH (1 : 2 : 1 : 1)、[(phen)2Ln(OH2)Cl3]的晶体。MeOH（Ln = La、Pr、Nd、Eu），单斜，P 21/a，a ≈ 13-2，b ≈ 10-7，c ≈ 18-5 Å，β ≈ 102-1°，Z = 4，R 0-054、0-032、0-040、0-054，分别为 No 2872、4792、3179、2847。LnCl3/bpy/ /EtOH (1 : 2 : 1 : 1)，[(bpy)2Ln(OH2)Cl3]。EtOH（Ln = Nd，Eu），分别为三菱形，P 1，a ≈ 11-3，b ≈ 10-9，c ≈ 10-4埃，α ≈ 75-5，β ≈ 89-8，γ ≈ 78-0°，Z = 2，R 0-044，0-056，No 4979，3596。LaCl3/bpy/EtOH (1 : 2 : 0-5) 是双核[(mby)2Cl2La(μ-Cl)2LaCl2(mby)2].EtOH，单斜，P 21/c，a 9-6878(2)，b 17-5696(3)，c 16-1341(2)埃，β 123-10(1)°，Z = 2，R 0-033，分别代表 No 4256。YbCl3/bpy (1 : 2)，[(bpy)2YbCl3]，单斜，P 21/c，a 15-065(8)，b 8-598(4)，c 16-92(1)埃，β 112-46(5)°，Z = 4，R 0-032 为 No 3548，其中只有金属原子是七配位。