dicopper;N,N-dipropylcarbamodithioate | 40437-78-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: dicopper;N,N-dipropylcarbamodithioate
• CAS: 40437-78-3
• 化学式: C₂₈H₅₆Cu₂N₄S₈
• 分子量: 832.399
• InChiKey: ZZKOUJAKIZQKMN-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  7.76
• 重原子数：
  42.0
• 可旋转键数：
  16.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  12.96
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 以 水 为溶剂， 以74%的产率得到dicopper;N,N-dipropylcarbamodithioate
  参考文献：
  名称：

  Thermal and structural characterization of a series of homoleptic Cu(II) dialkyldithiocarbamate complexes: bigger is only marginally better for potential MOCVD performance

  摘要：

  A series of Cu(II) dialkyldithiocarbamate complexes, Cu(S2CNRR')(2), with R = R' = n-Bu (1); i-Bu (2); c-Hex (3); CH2Ph (4); R = n-Bu, R' = Et (5); R = n-Pr, R' = c-PrCH2 (6); R = R' = n-Pr (7); i-Pr (8); allyl (9), were prepared. The thermal properties of the complexes were investigated to determine if their potential performance in chemical vapor deposition processes was affected by the nature of the peripheral substituents of the ancillary ligands. Modest gains in volatility were noted for 2 and 7 over the most often utilized complex with R = R' = Et, while I and 8 had thermal parameters and stability comparable to this standard. Unsymmetrical substitution, such as in 5, also improved volatility, with some loss of stability for this particular compound. X-ray diffraction studies of complexes 1-6 suggested that long range Cu...S interactions in the solid-state have little bearing on the thermal properties of this class of Cu(II) complexes. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00264-x

文献信息

• The crystal structure, equilibrium and spectroscopic studies of bis(dialkyldithiocarbamate) copper(II) complexes [Cu2(R2dtc)4] (dtc=dithiocarbamate)
  作者：Fangfang Jian、Zuoxiang Wang、Zhiping Bai、Xiaozeng You、Hoong-Kun Fun、Kandasamy Chinnakali、Ibrahim Abdul Razak

  DOI：10.1016/s0277-5387(99)00242-9

  日期：1999.11

  Four copper(II) complexes of bis(dialkyldithiocarbamate) [Cd(R(2)dtc)(2)] (R=Me, Et, Pr, i-Pr; dtc=dithiocarbamate) have been prepared and characterized by elemental analysis, IR and ESR spectra studies. Their equilibrium constants (K), determined by a W-vis spectrometry in EtOH, were influenced by the alkyl, groups in the following order: i-Pr>n-Pr approximate to Et>Me. The single crystal structures of complex [Cu-2(R(2)dtc)(4)] have been determined using X-ray diffraction methods. The compounds [Cu-2(Et(2)dtc)(4)] and [Cu-2(Pr(2)dtc)(4)] are built of centrosymmetric neutral dimeric [Cu-2(R(2)dtc)(4)] entities. The copper atom lies in a distorted square-pyramidal environment. The four equatorial donors are two bidentate chelate sulfur atoms from two dtc ligands. One of-the sulfur atoms from the third dtc ligand acts as a bridging ligand occupying the apical position of the symmetry-related copper atom in the dimer structure, which is viewed as two edge-sharing distorted square-pyramids. The structure of [Cu-2(i-Pr(2)dtc)(4)] is square planar with an exactly planar CuS4 unit and nearly planar NCS2 moieties. The Cu-S distances shows small decreases along the series n-Pr>Et>i-Pr, the biggest change being for the diisopropyl complex. The alkyl substituents at the nitrogen atom affect their coordination number and Cu Cu distance. In the solid, [Cu-2(n-Pr(2)dtc)(4)] has the shortest Cu ... Cu distance and [Cu(i-Pr(2)dtc)(2)] has the longest one. (C) 1999 Elsevier Science Ltd. Ail rights reserved.