{(C4H9)4N}{Ni(bis(trifluoromethyl)ethylenediselenolato)2} | 110304-00-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: {(C4H9)4N}{Ni(bis(trifluoromethyl)ethylenediselenolato)2}
• 英文别名: (n-Bu4N)[Ni(tds)2]；tetrabutylammonium bis(cis-1,2-bis(trifluoromethyl)-1,2-ethylenediselenato)nickelate
• CAS: 110304-00-2
• 化学式: C₈F₁₂NiSe₄*C₁₆H₃₆N
• 分子量: 941.067
• InChiKey: JUJHAQYATVDYSS-VIBDZMCESA-J

计算性质

• 辛醇/水分配系数(LogP)：
  8.32
• 重原子数：
  42.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  四甲基四硒富瓦烯 、 {(C4H9)4N}{Ni(bis(trifluoromethyl)ethylenediselenolato)2} 以 1,1,2-三氯乙烷 为溶剂， 生成
  参考文献：
  名称：

  Phase transition in the conductive molecular crystals bis(tetramethyltetraselenafulvalene)[bis(trifluoromethyl)ethylene]diselenolatonickel and -platinum, [TMTSF]2[M(tds)2), M = nickel, platinum. Relation to the copper analog

  摘要：

  DOI：

  10.1021/ja00211a019
• 作为产物：
  描述：

  {Ni(bis(trifluoromethyl)ethylenediselenolato)2} 、 四丁基铵盐 以 丙酮 为溶剂， 生成 {(C4H9)4N}{Ni(bis(trifluoromethyl)ethylenediselenolato)2}
  参考文献：
  名称：

  Harris, Nigel J.; Underhill, Allan E., Journal of the Chemical Society, Dalton Transactions, 1987, p. 1683 - 1686

  摘要：

  DOI：

文献信息

• Heuer, William B.; True, Anne E.; Swepston, Paul N., Inorganic Chemistry, 1988, vol. 27, # 8, p. 1474 - 1482
  作者：Heuer, William B.、True, Anne E.、Swepston, Paul N.、Hoffman, Brian M.

  DOI：——

  日期：——
• Metamagnetism in linear chain electron-transfer salts based on decamethylferrocenium and metal–bis(dichalcogenate) acceptors
  作者：S. Rabaça、R. Meira、L.C.J. Pereira、M. Teresa Duarte、J.J. Novoa、V. Gama

  DOI：10.1016/s0020-1693(01)00669-7

  日期：2001.12

  The crystal structure of the electron-transfer (ET) salts [Fe(Cp*)(2)][M(tds)(2)], with M = Ni (1) and Pt (2), consists of an array of parallel alternating donors, [Fe(CP*)2](.+), and acceptors, [M(tdS)(2)](.-), (...)DADADA(...), stacks. For T > 20 K, the magnetic susceptibility follows a Curie-Weiss behavior, with theta values of 8.9 and 9.3 K for I and 2, respectively. A metamagnetic behavior was observed in 2, with T-N = 3.3 K and H-C = 3.95 kG at 1.7 K, resulting from a high magnetic anisotropy. A systematic study of the intra and interchain magnetic interactions was performed on 1, 2 and other ET salts based on decamethylferrocenium and on metal-bis(dichalcogenate) acceptors, with a similar crystal structure. The observed magnetic behavior of these compounds is consistent with the presence of strong ferromagnetic intrachain DA interactions and weaker antiferromagnetic interchain interactions, predicted by the McConnell I model. A variety of interionic interchain contacts were found in these ET salts (AA, DD and DA) and these contacts were observed to give rise to antiferromagnetic interchain coupling. Although it was only observed in the case of 2 and [Fe(Cp*)(2)][Ni(edt)(2)], metamagnetism is expected to occur at lower temperatures in the other ET salts due to weaker intra and interchain coupling. (C) 2001 Elsevier Science BN. All rights reserved.