[Co(PPh3)2(SCN)2] | 17633-01-1

• 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: [Co(PPh3)2(SCN)2]
• 英文别名: [Co(PPh₃)₂(SCN)₂]
• CAS: 17633-01-1
• 化学式: C₃₈H₃₀CoN₂P₂S₂
• 分子量: 699.742
• InChiKey: QHJPKLFUCBWULS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.99
• 重原子数：
  45.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.72
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [Co(PPh3)2(SCN)2] 、 四苯硼钠 、 (o-(Ph₂P)C₆H₄)₃Sb 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Higginson, B. R.; McAuliffe, C. A.; Venanci, L. M., Helvetica Chimica Acta, 1975, vol. 58, p. 1261 - 1271

  摘要：

  DOI：
• 作为产物：
  描述：

  cobalt(II) thiocyanate 、 三苯基膦 以 乙醇 、 乙腈 为溶剂， 以0.62 g的产率得到[Co(PPh3)2(SCN)2]
  参考文献：
  名称：

  A tetracoordinate Co(II) single molecule magnet based on triphenylphosphine and isothiocyanato group

  摘要：

  A simple Co(II) mononuclear complex [Co(PPh3)(2)(NCS)(2)] has been studied in details. Its crystal and molecular structure is reported along with its IR a UV-Vis spectra. The DC magnetization studies confirm a sizable zero-field splitting D/hc = -9.4 cm(-1) that is also confirmed by quantum-chemical calculations. The AC susceptibility data shows that there is a slow magnetic relaxation with two relaxation branches. The low-frequency branch occurs at about f = 1-10 Hz and it tends to disappear progressively on heating. The high-frequency branch exists at the frequency ranges above f > 200 Hz and this is shifted above the hardware limit (1500 Hz) on heating. The characteristics of this field-induced single molecule magnet strongly depend upon the applied DC field (0.2-0.4 T). (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2016.02.026

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sb: Org.Comp.1, 1.1.1.1.7, page 87 - 96
  作者：

  DOI：——

  日期：——