cobalt bis[2-(p-tolyliminomethyl)phenolate] | 37980-96-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: cobalt bis[2-(p-tolyliminomethyl)phenolate]
• 英文别名: Co(N-p-tolylsalicylideniminato)₂；bis(N-p-toluidinesalicylaldiminato)cobalt(II)
• CAS: 37980-96-4
• 化学式: C₂₈H₂₄CoN₂O₂
• 分子量: 479.504
• InChiKey: HPUFBMQBULKWHO-ZQSWXEMLSA-L

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：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  2,4,6,8-tetra-(tert-butyl)phenoxazin-1-one 、 cobalt bis[2-(p-tolyliminomethyl)phenolate] 以 neat (no solvent, solid phase) 为溶剂， 生成
  参考文献：
  名称：

  具有氧化还原活性的2,4,6,8-四-（叔丁基）苯恶嗪-1-酮的Co（II）甲亚甲亚胺配合物多晶加合物的合成与结构

  摘要：

  六配位钴配合物C 57 H 63.50 N 4.50 O 4 Co（IIa），C 60 H 69 N 5 O 4 Co（IIb），C5 8 H 67 N 3 O 8 Co（IIc），C 56 H 61 N 5 O 10 Co（IId），C 56 H 63 N 3 O 6 Co（IIe），C 58 H 66N 4 O 6 Co（IIf）和C 58 H 63 N 7 O 8 Co（IIg），高自旋四面体Co（II）双（水杨基醛酸酯）（C 29 H 24.50 N 3.50 O 2 Co（Ia）的加合物，C 32 H 30 N 4 O 2 Co（Ib），C 30 H 28 N 2 O 6 Co（Ic），C 28 H 22 N 4O 8 Co（Id），C 28 H 24 N 2 O 4 Co（Ie），C 30 H 27 N 3 O 4 Co（If）和C 30 H 24 N 6 O 6 Co（Ig））和氧化还原-合成了活性的2

  DOI：

  10.1134/s1070328416040011

文献信息

• Adducts of cobalt(ii) bis(salicylaldiminates) and redox-active phenoxazin-1-one: synthesis, structure, and magnetic properties
  作者：M. Yu. Antipin、E. P. Ivakhnenko、Yu. V. Koshchienko、P. A. Knyazev、M. S. Korobov、A. V. Chernyshev、K. A. Lyssenko、A. G. Starikov、V. I. Minkin

  DOI：10.1007/s11172-013-0251-6

  日期：2013.8

  Adducts of cobalt(II) bis(salicylaldiminates) and 2,4,6,8-tetra-tert-butylphenoxazin-1-one were synthesized and their molecular and crystal structures were determined. According to the ESR and magnetochemical data, the metal atom is in the low-spin trivalent state (CoIII) due to the intramolecular electron transfer to the redox-active ligand. In the solid state, the mixedligand complexes are stable

  合成了钴 (II) bis(salicylaldiminates) 和 2,4,6,8-tetra-tert-butylphenoxazin-1-one 的加合物，并确定了它们的分子和晶体结构。根据 ESR 和磁化学数据，由于分子内电子转移到氧化还原活性配体，金属原子处于低自旋三价态 (CoIII)。在固态下，混合配体复合物在空气中可稳定数月，但在高温下的溶液中，它们会分解为起始组分。通过有效磁矩的温度依赖性检测到的这种行为可以通过可能的价互变异构动力学的能量势垒的量子化学 DFT 计算来解释，发现其值高于解离焓。
• Magnetic Properties of 1:2 Mixed Cobalt(II) Salicylaldehyde Schiff-Base Complexes with Pyridine Ligands Carrying High-Spin Carbenes (<i>S</i>_car = 2/2, 4/2, 6/2, and 8/2) in Dilute Frozen Solutions: Role of Organic Spin in Heterospin Single-Molecule Magnets
  作者：Satoru Karasawa、Kimihiro Nakano、Daisuke Yoshihara、Noriko Yamamoto、Jun-ichi Tanokashira、Takahito Yoshizaki、Yuji Inagaki、Noboru Koga

  DOI：10.1021/ic403074d

  日期：2014.6.2

  The 1:2 mixtures of Co(p-tolsal)(2), p-tolsal = N-p-tolylsalicylideniminato, and diazo-pyridine ligands, DXpy; X = 1, 2, 31, 3h, and 4, in MTHF solutions were irradiated at cryogenic temperature to form the corresponding 1:2 cobalt-carbene complexes Co(p-tolsal)(2)(CXpy)(2), with S-total = 5/2, 9/2, 13/2, 13/2, and 17/2, respectively. The resulting Co(p-tolsal)(2)(CXpy)(2), X = 1, 2, 31, 31,, and 4, showed magnetic behaviors characteristic of heterospin single-molecule magnets with effective activation barriers, U-eff/kB, of 40, 65, 73, 72, and 74 K, for reorientation of the magnetic moment and temperature-dependent hysteresis loops with a coercive force, H-c, of similar to 0, 6.2, 10, 6.5, and 9.0 kOe at 1.9 K, respectively. The relaxation times, tau(Q), due to a quantum tunneling of magnetization (QTM) were estimated to be 1.6 s for Co(p-tolsal)(2)(C1py)(2), similar to 2.0 X 10(3) s for Co(p-tolsal)(2)(C2py)(2), and >10(5) s for Co(p-tolsal)(2)(CXpy)(2); X = 3b, 3I, and 4. In heterospin complexes, organic spins, carbenes interacted with the cobalt ion to suppress the QTM pathway, and the tau(Q) value increased with increasing the S-total values.