| 1401094-36-7

• 分子结构分类: 有机化合物 - 有机卤素化合物
• CAS: 1401094-36-7
• 化学式: CF₃O₃S*C₁₆H₂₄CoF₆N₄
• 分子量: 594.447
• InChiKey: YLECLHUUUXOABQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  3,3,3-三氟-1-丙炔 、 [Cr(cyclam)(OTf)₂]OTf 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  四齿大环胺负载的Co（III）的反式双炔基配合物的合成：CCMCC结构单元中π相互作用和电子通讯的光谱，结构和电化学分析

  摘要：

  已经制备了反式-[Co（cyclam）（CCR）2 ] OTf类型的炔基配合物，并通过UV-Vis光谱，1 H NMR，振动光谱（红外和拉曼光谱）和循环伏安法进行了表征。在适当的情况下，将数据与相应的Cr（III）和Rh（III）配合物进行比较。尽管已表明芳基炔基配体充当相应Cr（III）配合物的π供体，但振动光谱表明，芳基炔基配体与Co（III）之间的π相互作用非常弱，并且吸电子性更高的三氟丙炔基配体可能表现为对Co（III）的弱π受体。反式-[Co（cyclam）（CCCF 3）2的X射线晶体结构还报道了] OTf和反式-[Cr（cyclam）（CCCF 3）2 ] OTf，并且对MC和CC键长的分析与对三氟丙炔基配体的这种理解是一致的。反式-[Co（cyclam）（CCR）2 ] OTf配合物的循环伏安法表明，当R = C 6 H 5或p -C 6 H 4 CH 3时，Co III /

  DOI：

  10.1016/j.ica.2013.11.036

文献信息

• Trifluoropropynyl as a Surrogate for the Cyano Ligand and Intense, Room-Temperature, Metal-Centered Emission from Its Rh(III) Complex
  作者：Chivin Sun、Parth U. Thakker、Levan Khulordava、Daniel J. Tobben、Seth M. Greenstein、David L. Grisenti、Andrew G. Kantor、Paul S. Wagenknecht

  DOI：10.1021/ic3016113

  日期：2012.10.15

  spectra for all three bear a remarkable similarity to that of the trans-M(cyclam)(CN)2+ cations. The trifluoropropynyl complex of Co3+ shows electrochemical behavior nearly identical with that of its dicyano analogue. Metal-centered phosphorescence from the Rh(III) complex in room-temperature aqueous solution has a quantum yield of 0.12 and a lifetime of 73 μs, nearly 10 times higher than those of its dicyano

  所述配体trifluoropropynyl-C≡CCF 3进行了研究作为一个可能的替代物为氰基配体。该类型的复合物的反式- [M（cyclam）（C≡CCF 3）2 ]光学传递函数（其中M =铬3+，钴3+，和Rh 3+ ;光学传递函数=三氟甲磺酸酯）来制备，然后，其特征在于电子光谱和通过循环伏安法测定Co 3+络合物。这三个光谱的紫外可见光谱与反式-M（cyclam）（CN）2 +阳离子具有显着的相似性。Co 3+的三氟丙炔基络合物显示出与其二氰基类似物几乎相同的电化学行为。Rh（III）络合物在室温水溶液中以金属为中心的磷光的量子产率为0.12，寿命为73μs，几乎是其二氰基类似物的10倍。
• Synthetic control of the cis/trans geometry of [M(cyclam)(CCR)2]OTf complexes and photophysics of cis-[Cr(cyclam)(CCCF3)2]OTf and cis-[Rh(cyclam)(CCCF3)2]OTf
  作者：Parth U. Thakker、Chivin Sun、Levan Khulordava、Colin D. McMillen、Paul S. Wagenknecht

  DOI：10.1016/j.jorganchem.2014.08.028

  日期：2014.12

  During the synthesis of alkynyl complexes of the type [Cr(cyclam)(CCR)(2)]OTf from cis-[Cr(cyclam)(OTf)(2)] OTf, a cis to trans isomerization occurs that is dependent on the identity of the ether solvent. The isomerization occurs to a significant extent in THF, yielding greater than 80% of the trans isomer, whereas in diethyl ether this isomerization occurs to a lesser extent. Though some base catalyzed isomerization of the final alkynyl product occurs, the data herein supports that the majority of the isomerization occurs during the triflate to alkynyl ligand exchange. It is also demonstrated that 1,1,1,3,3-pentafluoropropane can be used in place of the more expensive 1,1,1-trifluoropropyne for the syntheses of the trifluoropropynyl complexes, cis/trans-IM(cyclam)(CCCF3)(2)OTf. The methodologies developed are used to prepare the previously unreported cis-IM(cyclam)(CCCF3)(2)OTf complexes (where M = Cr3+ and Rh-3). Upon photoexcitation, the Cr3+ complex is emissive (738 nm) in room temperature acetonitrile with lifetimes of 24 is and 122 is in air saturated and nitrogen purged solutions respectively. The corresponding Rh3+ complex is non-emissive. (c) 2014 Elsevier BY. All rights reserved.