[Bu4N][Ni(1,3-dithiole-2-selone-4,5-dithiolate)2] | 136001-98-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: [Bu4N][Ni(1,3-dithiole-2-selone-4,5-dithiolate)2]
• CAS: 136001-98-4
• 化学式: C₆NiS₈Se₂*C₁₆H₃₆N
• 分子量: 787.673
• InChiKey: DTAWVRNHLLZUFU-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  10.25
• 重原子数：
  34.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  [Bu4N][Ni(1,3-dithiole-2-selone-4,5-dithiolate)2] 、 甲胺高氯酸盐 以 not given 为溶剂， 生成 [MeH3N][Ni(1,3-dithiole-2-selone-4,5-dithiolate)2]2
  参考文献：
  名称：

  Sato, Akane; Kobayashi, Hayao; Naito, Toshio, Inorganic Chemistry, 1997, vol. 36, # 23, p. 5262 - 5269

  摘要：

  DOI：

文献信息

• Cornelissen, Joost P.; Pomarède, Brigitte; Spek, Anthony L., Inorganic Chemistry, 1993, vol. 32, # 17, p. 3720 - 3726
  作者：Cornelissen, Joost P.、Pomarède, Brigitte、Spek, Anthony L.、Reefman, Derk、Haasnoot, Jaap G.、Reedijk, Jan

  DOI：——

  日期：——
• OLK, B.;OLK, RUTH-MARIA;SIELER, J. HOYER E., SYNTH. METALS, 42,(1991) N, C. 2585-2588
  作者：OLK, B.、OLK, RUTH-MARIA、SIELER, J. HOYER E.

  DOI：——

  日期：——
• Mechanism of reversible spin transition with a thermal hysteresis loop in [FeIII(qsal)2][Ni(dmise)2] · 2CH3CN: Selenium analogue of the precursor of an Fe(III) spin-crossover molecular conducting system
  作者：Kazuyuki Takahashi、Hatsumi Mori、Hayao Kobayashi、Osamu Sato

  DOI：10.1016/j.poly.2008.11.047

  日期：2009.6

  A novel Fe(III) spin-crossover complex, [Fe(qsal)(2)][Ni(dmise)(2)] center dot 2CH(3)CN 1 [qsalH = N-(8-quinolyl)-salicylaldimine, dmise = 4,5-dithiolato-1,3-dithiole-2-selone] was prepared. The magnetic susceptibility measurements revealed 1 exhibited a cooperative spin transition with a thermal hysteresis loop of 15 K. The high and the low temperature structures of 1 indicated three-dimensional intermolecular pi-pi interactions play a key role in the cooperative spin transition, accompanying a reversible molecular slipping of pi-dimer of Ni(dmise)(2) along the molecular long axis. The transfer integral calculation for 1 suggested the pi-dimer of Ni(dmise)(2) is in the spin singlet state. (C) 2008 Elsevier Ltd. All rights reserved.