[Ni(2-hydroxymethylpyridine(-1H))(methanol)Cl]4*H2O | 618100-61-1

• 英文名称: [Ni(2-hydroxymethylpyridine(-1H))(methanol)Cl]4*H2O
• 英文别名: [Ni((2-hydroxymethyl)pyridine)(MeOH)Cl]4*H2O；[Ni(hmp)(MeOH)Cl]4*H2O
• CAS: 618100-61-1
• 化学式: C₂₈H₄₀Cl₄N₄Ni₄O₈*H₂O
• 分子量: 955.235
• InChiKey: ZBGIGZNVDODBQP-UHFFFAOYSA-J

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：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  3,3-二甲基-1-丁基酸酯 、 [Ni(2-hydroxymethylpyridine(-1H))(methanol)Cl]4*H2O 以 further solvent(s) 为溶剂， 以80%的产率得到[Ni(2-hydroxymethylpyridine(-1H))(3,3-dimethyl-1-butanol)Cl]4
  参考文献：
  名称：

  Fast Magnetization Tunneling in Tetranickel(II) Single-Molecule Magnets

  摘要：

  A series of Ni-4 cubane complexes with the composition [Ni(hmp)(ROH)Cl](4) complexes 1-4 where R=-CH3 (complex 1), -CH2CH3 (complex 2), -CH2CH2(C4H9) (complex 3), -CH2CH2CH2(C6H11) (complex 4), hmp(-) is the anion of 2-hydroxymethylpyridine, t-Buhmp(-) is the anion of 4-tert-butyl-2-hydroxymethylpyridine, and dmb is 3,3-dimethyl-1-butanol] and [Ni(hmp)(dmb)Br](4) (complex 5) and [Ni(t-Buhmp)(dmb)Cl](4) (complex 6) were prepared. All six complexes were characterized by dc magnetic susceptibility data to be ferromagnetically coupled to give an S = 4 ground state with significant magnetoanisotropy (D approximate to -0.6 cm(-1)). Magnetization hysteresis measurements carried out on single crystals of complexes 1-6 establish the single-molecule magnet (SMM) behavior of these complexes. The exchange bias observed in the magnetization hysteresis loops of complexes 1 and 2 is dramatically decreased to zero in complex 3, where the bulky dmb ligand is employed. Fast tunneling of magnetization is observed for the high-symmetry (S-4 site symmetry) Ni-4 complexes in the crystal of complex 3, and the tunneling rate can even be enhanced by destroying the S-4 site symmetry, as is the case for complex 4, where there are two crystallographically different Ni4 molecules, one with C-2 and the other with C-1 site symmetry. Magnetic ordering temperatures due to intermolecular dipolar and magnetic exchange interactions were determined by means of very low-temperature ac susceptibility measurements; complex 1 orders at 1100 mK, complex 3 at 290 mK, complex 4 at similar to 80 mK, and complex 6 at < 50 mK. This confirms that bulkier ligands correspond to more isolated molecules, and therefore, magnetic ordering occurs at lower temperatures for those complexes with the bulkiest ligands.

  DOI：

  10.1021/ic050093r
• 作为产物：
  描述：

  甲醇 、 nickel(II) chloride hexahydrate 、 2-吡啶甲醇 在 NaOCH₃ 作用下， 以 甲醇 为溶剂， 以20%的产率得到[Ni(2-hydroxymethylpyridine(-1H))(methanol)Cl]4*H2O
  参考文献：
  名称：

  Fast Magnetization Tunneling in Tetranickel(II) Single-Molecule Magnets

  摘要：

  A series of Ni-4 cubane complexes with the composition [Ni(hmp)(ROH)Cl](4) complexes 1-4 where R=-CH3 (complex 1), -CH2CH3 (complex 2), -CH2CH2(C4H9) (complex 3), -CH2CH2CH2(C6H11) (complex 4), hmp(-) is the anion of 2-hydroxymethylpyridine, t-Buhmp(-) is the anion of 4-tert-butyl-2-hydroxymethylpyridine, and dmb is 3,3-dimethyl-1-butanol] and [Ni(hmp)(dmb)Br](4) (complex 5) and [Ni(t-Buhmp)(dmb)Cl](4) (complex 6) were prepared. All six complexes were characterized by dc magnetic susceptibility data to be ferromagnetically coupled to give an S = 4 ground state with significant magnetoanisotropy (D approximate to -0.6 cm(-1)). Magnetization hysteresis measurements carried out on single crystals of complexes 1-6 establish the single-molecule magnet (SMM) behavior of these complexes. The exchange bias observed in the magnetization hysteresis loops of complexes 1 and 2 is dramatically decreased to zero in complex 3, where the bulky dmb ligand is employed. Fast tunneling of magnetization is observed for the high-symmetry (S-4 site symmetry) Ni-4 complexes in the crystal of complex 3, and the tunneling rate can even be enhanced by destroying the S-4 site symmetry, as is the case for complex 4, where there are two crystallographically different Ni4 molecules, one with C-2 and the other with C-1 site symmetry. Magnetic ordering temperatures due to intermolecular dipolar and magnetic exchange interactions were determined by means of very low-temperature ac susceptibility measurements; complex 1 orders at 1100 mK, complex 3 at 290 mK, complex 4 at similar to 80 mK, and complex 6 at < 50 mK. This confirms that bulkier ligands correspond to more isolated molecules, and therefore, magnetic ordering occurs at lower temperatures for those complexes with the bulkiest ligands.

  DOI：

  10.1021/ic050093r

文献信息

• Frequency domain magnetic resonance and magnetic circular dichroism studies on Ni4 cubane molecular nanomagnets: A magnetic anisotropy investigation
  作者：F. Moro、F. Piga、I. Krivokapic、A. Burgess、W. Lewis、J. McMaster、J. van Slageren

  DOI：10.1016/j.ica.2010.08.022

  日期：2010.12

  (VTVH) curves observed from magnetic circular dichroism (MCD) measurements on 1 in solution confirms the presence of ZFS. Virtually all the bands observed in the magnetic circular dichroism spectra possess the same sign, which may be related to the ferromagnetic exchange coupling. In addition, MCD measurements of a dilute solution demonstrate the molecular origin of the magnetic anisotropy in 1 .

  三种Ni古巴单分子磁体（SMM）[Ni（hmp）（MeOH）Cl] 4·H 2 O（1·H 2 O）（hmpH =（2-羟甲基）吡啶）的磁各向异性研究据报道[Ni（hmp）（dmb）Cl] 4（2）（dmb ＝ 3，3-二甲基丁醇）和[Ni（hmp）（dmp）Cl] 4（3）（dmp ＝ 2，2-二甲基丙醇）。粉末颗粒在1、2和3上的频域磁共振波谱（FDMRS）研究显示了这些化合物在固态时的自旋基态的零场分裂（ZFS）。测定了配合物1和2的ZFS值，并在两个配合物中发现了不同的分子种类，而在3中仅发现了一种。从溶液中的磁性圆二色性（MCD）测量中观察到的可变温度可变场（VTVH）曲线的嵌套证实了ZFS的存在。实际上，在圆圆二色性光谱中观察到的所有谱带都具有相同的符号，这可能与铁磁交换耦合有关。此外，稀溶液的MCD测量结果证明了1中磁各向异性的分子起源。