2-iodo 3,4,5,6-tetrafluoro phenyllithium | 1036240-41-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-iodo 3,4,5,6-tetrafluoro phenyllithium
• 英文别名: 2-iodotetrafluorophenyl lithium
• CAS: 1036240-41-1
• 化学式: C₆F₄ILi
• 分子量: 281.905
• InChiKey: JADJDJBPPVENDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.64
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  2-iodo 3,4,5,6-tetrafluoro phenyllithium 以 四氢呋喃 、 乙醚 为溶剂， 生成 (NBu4[Tl(Au(2-iodotetrafluorophenyl)2)2])n
  参考文献：
  名称：

  1,2-Dibromo- and 1,2-Diiodotetrafluorobenzene as Precursors of Anionic Homo- and Heterometallic Gold Complexes

  摘要：

  By reaction of LiR and [AuCl(tht)] the new organometallic compounds NBu4[AuR2] (R = 2-C6BrF4 (1), 2-C6F4I (2)) have been prepared. They react with TlPF6 in different molar ratios yielding anionic extended chains with the stoichiometries {NBu4[Tl-2(AuR2)(3)]}(n), (R = 2-C6BrF4 (3), 2-C6F4I (4)) and {NBu4[Tl(AuR2)(2)]}(n) (R = 2-C6BrF4 (5), 2-C6F4I (6)). The crystal structures of 3 and 4 consist of anionic chains formed by association of loosely bound Au2Tl2 clusters interconnected by [AuR2](-) anions via unsupported Au center dot center dot center dot Tl interactions, while 5 shows infinite polymetallic Au/Tl chains with an additional [AuR2](-) fragment bonded to each Tl-1 via unsupported Au center dot center dot center dot Tl contacts. The heterometallic bromotetrafluorophenyl complexes 3 and 5 display luminescence in the solid state, which is assigned to excited states that appear as result of the interactions between the metal centers. At 77 K different emissions appear in glassy solutions, which are assigned to the presence of oligomers of different length. In the case of the iodotetrafluorophenyl derivatives, in spite of presenting similar structures, complex 4 is weakly luminescent and complex 6 is nonluminescent both in the solid state at room temperature and at 77 K and in glassy solutions. This result is probably a consequence of the heavy-atom effect (HAE) due to the presence of iodine instead of bromine, which in the case of complex 4 provokes a reduction of the intensity if compared with its homologous compound 3 and which in 6 leads to the total quenching of the emission.

  DOI：

  10.1021/om8000586
• 作为产物：
  描述：

  tetrafluorobezyne 、 lithium iodide 生成 2-iodo 3,4,5,6-tetrafluoro phenyllithium
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.4, 1.3.1, page 2 - 8

  摘要：

  DOI：

文献信息

• Influence of perhalophenyl groups in the TADF mechanism of diphosphino gold(<scp>i</scp>) complexes
  作者：Inés Soldevilla、Aimara García-Camacho、Rinat T. Nasibullin、M. Elena Olmos、Miguel Monge、Dage Sundholm、Rashid R. Valiev、José M. López-de-Luzuriaga、María Rodríguez-Castillo

  DOI：10.1039/d1tc04905d

  日期：——

  three-coordinated gold(I) complexes using the chelate ligand 1,2-bis(diphenylphosphino)benzene (dppBz) and [AuR(tht)] (R = C6F5 (1), o-C6BrF4 (2), p-C6BrF4 (3), o-C6F4I (4), p-C6F4I (5); tht = tetrahydrothiophene) have been prepared. The crystal structures of compounds 1 and 2 consist of distorted three-coordinated Au(I) complexes displaying different Au–P distances at the same gold atom. The complexes

  使用螯合配体 1,2-双(二苯基膦基)苯 (dppBz) 和 [AuR(tht)] (R = C 6 F 5 ( 1 ), o -C 6 BrF 4的新型全卤苯基三配位金 ( I ) 配合物( 2 ), p -C 6 BrF 4 ( 3 ), o -C 6 F 4 I ( 4 ), p -C 6 F 4 I ( 5 ); tht = 四氢噻吩)。化合物1的晶体结构和图2由扭曲的三配位Au（I）配合物组成，在同一金原子上显示出不同的Au-P距离。配合物在室温 (RT) 和 77 K 下在固态下显示出强烈的光致发光发射。对发射寿命与温度的依赖性的研究表明，在室温下存在热激活延迟荧光 (TADF) 过程。我们通过第一性原理计算计算了光物理过程的系统间交叉和反向系统间交叉的速率常数，以非常好的一致性支持实验观察。
• Cohen, S. C.; Massey, A. G., 1970, vol. 6, p. 83 - 286
  作者：Cohen, S. C.、Massey, A. G.

  DOI：——

  日期：——