trifluoride ion | 25730-99-8

• 英文名称: trifluoride ion
• CAS: 25730-99-8
• 化学式: F₃
• 分子量: 56.9952
• InChiKey: YOJONUWAMPIOKB-UHFFFAOYSA-N

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：

  铜 、 fluorine 反应 1.0h， 生成 copper (II)-fluoride 、 trifluoride ion 、 copper (III)-fluoride
  参考文献：
  名称：

  基质分离光谱法和量子化学计算研究氟化金和稀有气体络合物

  摘要：

  贵族之间的差异：基质分离实验和量子化学计算导致了两种新化合物的表征，即第一种开壳二元氟化金AuF 2和NeAuF络合物。此外，在低温条件下，在氖气和氩气基质中已经生产并鉴定出ArAuF，AuF 3，Au 2 F 6和单体AuF 5。

  DOI：

  10.1002/anie.201205072

文献信息

• Thorium Fluorides ThF, ThF₂, ThF₃, ThF₄, ThF₃(F₂), and ThF₅^– Characterized by Infrared Spectra in Solid Argon and Electronic Structure and Vibrational Frequency Calculations
  作者：Lester Andrews、K. Sahan Thanthiriwatte、Xuefeng Wang、David A. Dixon

  DOI：10.1021/ic401107w

  日期：2013.7.15

  Reactions of laser-ablated Th atoms with F2 produce ThF4 as the major product based on agreement with matrix spectra recorded of the vapor from the solid at 800–850 °C. Weaker higher-frequency bands at (567.2, 564.8), (575.9, 575.1), and (531.0, 528.4) cm–1 in argon are assigned to ThF, ThF2 and ThF3, ThF3(F2) on the basis of their chemical behavior upon increasing reagent concentrations, annealing

  激光烧蚀的Th原子与F 2的反应产生ThF 4作为主要产物，这是与在800–850°C下记录的来自固体的蒸气的基质光谱相一致的结果。在（567.2、564.8），（575.9、575.1）和（531.0、528.4）cm –1的氩中较弱的较高频段根据以下条件分配给ThF，ThF 2和ThF 3，ThF 3（F 2）：随着试剂浓度的增加，退火和辐照，NF 3，OF 2的使用，它们的化学行为，并将HF作为F原子源，并与在DFT / B3LYP和CCSD（T）级别上计算的频率进行比较，并在Th上设置较大的分段+ ECP基础，在F上设置aug-cc-pVTZ基础。 460 cm –1的较宽谱带被分配给ThF 5 –阴离子。三方-双锥THF 5 -阴离子（7.17电子伏特的计算电子脱离能量）在THF的费用的增加3（F 2）和F 3 -上充满汞弧照射。通过计算显示，[ThF 3 + ] [F 2 – ]是具有侧键F
• Quantum-Chemical Calculations and IR Spectra of the (F₂)MF₂ Molecules (M = B, Al, Ga, In, Tl) in Solid Matrices: A New Class of Very High Electron Affinity Neutral Molecules
  作者：Xuefeng Wang、Lester Andrews

  DOI：10.1021/ja1110442

  日期：2011.3.23

  Electron-deficient group 13 metals react with F-2 to give the compounds MF2 (M = B, Al, Ga, In, Tl), which combine with F-2 to form a new class of very high electron affinity neutral molecules, (F-2)MF2, in solid argon and neon. These (F-2)MF2 fluorine metal difluoride molecules were identified through matrix IR spectra containing new antisymmetric and symmetric M-F stretching modes. The assignments were confirmed through close comparisons with frequency calculations using DFT methods, which were calibrated against the MF3 molecules observed in all of the spectra. Electron affinities calculated at the CCSD(T) level fall between 7.0 and 7.8 eV, which are in the range of the highest known electron affinities.
• Hunt, Rodney D.; Thompson, Craig; Hassanzadeh, Parviz, Inorganic Chemistry, 1994, vol. 33, # 2, p. 388 - 391
  作者：Hunt, Rodney D.、Thompson, Craig、Hassanzadeh, Parviz、Andrews, Lester

  DOI：——

  日期：——