bis(N,N-dipropyldithiocarbamato)nickel(II)

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: bis(N,N-dipropyldithiocarbamato)nickel(II)
• 英文别名: dipropyl-dithiocarbamic acid ; nickel (II)-compound；[Ni(dnpdtc)2]；Dipropyl-dithiocarbamidsaeure; Nickel(II)-Verbindung
• 化学式: 2C₇H₁₄NS₂*Ni
• 分子量: 411.344
• InChiKey: MZPRDWUWHYVUSP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.94
• 重原子数：
  11.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  高氯酸铵 、 nickel(II) chloride hexahydrate 、 bis(N,N-dipropyldithiocarbamato)nickel(II) 、 三苯基膦 以 甲醇 、 二氯甲烷 为溶剂， 以60%的产率得到[(N,N-dipropyldithiocarbamato)-di(triphenylphosphine)nickel(II) perchlorate]*triphenylphosphine
  参考文献：
  名称：

  Effect of free and chelating phosphine coordination environments on the NiS2P2 chromophore: synthesis, NMR and other spectral studies. Crystal and molecular structures of (N,N-dipropyldithiocarbamato)di(triphenylphosphine)nickel(II) perchlorate and (N,N-dipropyldithiocarbamato)1,2-bis((diphenylphosphino)ethane)nickel(II) tetraphenylborate

  摘要：

  Planar [Ni(dnpdtc)(PPh3)(2)] ClO4 . PPh3 (1) and [Ni(dnpdtc)(dppe)]BPh4 . H2O (2) (dnpdtc = N,N-dipropyldithiocarbamate, dppe = 1,2-bis(diphenylphosphino)ethane) complexes were prepared and characterized by elemental analysis, electronic, IR and NMR spectra and their structures were determined by single crystal X-ray crystallography. Both the complexes were diamagnetic. IR spectra of the two compounds show isobidentate coordination of the dithiocarbamate moiety. The important stretching mode characteristic of the thioureide bond occurs at 1536 and 1526 cm(-1) for 1 and 2, respectively. The BVS data support the highly covalent nature of the Ni-S interaction. NMR spectra of the complexes show very large (similar to20 ppm) 31 p chemical shifts in both compounds. The most important N-13 CS2 chemical shifts appear at 199.17 and 201.88 ppm for 1 and 2, respectively. Structural implications are very large for 2 compared to 1 when free phosphines are replaced by chelating dppe with the P-Ni-P angle shrinking to approximately 12degrees. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.09.013
• 作为产物：
  描述：

  nickel(II) nitrate hexahydrate 、 di-n-propylammonium di-n-propyldithiocarbamate 以 水 为溶剂， 生成 bis(N,N-dipropyldithiocarbamato)nickel(II)
  参考文献：
  名称：

  Enthalpies of formation of five crystalline dialkyldithiocarbamate nickel(II) complexes: the mean (NiS) bond-dissociation enthalpies

  摘要：

  DOI：

  10.1016/0021-9614(89)90144-4