chromium monofluoride | 13943-42-5

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属卤化物
• 英文名称: chromium monofluoride
• 英文别名: chromium fluoride
• CAS: 13943-42-5
• 化学式: CrF
• 分子量: 70.9944
• InChiKey: PLGSVAFGXVQXPI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.42
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• 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

• 作为产物：
  描述：

  四氟化碳 、 铬 以 neat (no solvent) 为溶剂， 生成 chromium monofluoride
  参考文献：
  名称：

  CrF和CrCl在X 6Sigma +状态下的电子性质：通过傅立叶变换微波光谱法观察卤素超精细结构。

  摘要：

  通过使用傅立叶变换微波光谱仪观察到X 6Sigma +态的CrF和CrCl自由基的旋转光谱。CrF和CrCl自由基是通过激光烧蚀的Cr与分别稀释在Ar中的F2和Cl2的反应生成的。用Nd：YAG激光烧蚀由铬粉制成的铬棒，该铬棒上涂有环氧树脂。在8至26 GHz之间的区域中测量了旋转跃迁。通过最小二乘分析确定了由于卤素原子核而产生的几个超精细常数。CrF和CrCl的电子性质是由它们的超精细常数得出的，并与其他3d过渡金属单卤化物（TiF，MnF，FeF，CoF，NiF和FeCl）的电子性质进行了比较。

  DOI：

  10.1063/1.1691021

文献信息

• Spectroscopy and MRCI calculations on CrF and CrCl
  作者：R. Koivisto、O. Launila、B. Schimmelpfennig、B. Simard、U. Wahlgren

  DOI：10.1063/1.1367395

  日期：2001.5.22

  parameters of the X 6Σ+ ground state have been obtained. MRCI calculations have been performed on CrF and CrCl and comparisons have been made with both experiments and DFT calculations [Bencheikh et al., J. Chem. Phys. 106, 6231 (1997)]. The calculations on CrF have provided valuable aids in the interpretations of the fluorescence excitation and dispersed fluorescence spectra of a state observed at 31 700 cm−1

  CrCl 自由基的 B 6Π–X 6Σ+ 能带系统已使用 FTS 技术在 6900–11 700 cm-1 区域内以 0.025 cm-1 的分辨率记录在热发射中。对该系统的 (0,0) 波段进行了分析。B 6Π 状态的旋转常数为 B0=0.1615 cm-1，自旋轨道参数为 A0=51 cm-1。已经获得了 X 6Σ+ 基态的 γ 和 λ 参数的改进值。已对 CrF 和 CrCl 进行了 MRCI 计算，并与实验和 DFT 计算进行了比较 [Bencheikh et al., J. Chem. 物理。106, 6231 (1997)]。CrF 的计算为解释在 31 700 cm-1 观察到的状态的荧光激发和分散荧光光谱提供了有价值的帮助。这个状态现在被指定为 D 6Π。分散荧光光谱中的许多跃迁被认为涉及迄今为止未知的C 6Δ 状态。自旋轨道配置相互作用 (SO-CI) 计算...
• Devore; McQuaid; Gole, High temperature science, 1990, vol. 29, # 1, p. 1 - 15
  作者：Devore、McQuaid、Gole

  DOI：——

  日期：——
• Luminescent Photofragments of (1,1,1,5,5,5-Hexafluoro-2,4-pentanedionato) Metal Complexes in the Gas Phase
  作者：David S. Talaga、Stephen D. Hanna、Jeffrey I. Zink

  DOI：10.1021/ic971340x

  日期：1998.6.1

  The luminescence that is observed under gas phase photolytic deposition conditions is studied for Cr(hfac)(3), Ni(hfac)(2), and Pt(hfac)(2). This luminescence is analyzed under a variety of conditions, including the relatively high pressures of an evacuated gas cell and the collision-free conditions of a molecular beam. The effects of inert buffer gas are also studied. Features in these spectra indicate that, in general, multiple photolysis processes occur. Some simple fragments that are produced from these compounds are identified, including bare metal atoms (Ni, Cr), metal monofluorides (NiF, CrF), CH (in the case of Ni(hfac)(2)), and metal carbide from Pt(hfac)(2). It is postulated that the difference in the observed photofragmentation pathway in the case of platinum is due to sigma bonding to the beta carbon of the hfac moiety as opposed to the bidentate bonding of the other two metals. Possible mechanisms are presented. Detailed analysis of the spectra allows characterization of the internal energy of the platinum carbide photofragment.
• The rotational spectrum of the CrF radical in the <i>X</i> ⁶Σ⁺ state
  作者：Toshiaki Okabayashi、Mitsutoshi Tanimoto

  DOI：10.1063/1.472608

  日期：1996.11

  The rotational spectrum of the CrF radical in the X 6Σ+ state was observed by employing a source modulation microwave spectrometer. The CrF radical was generated in a free space cell by a dc glow discharge in CF4 and He. The chromium atom was supplied by the sputtering reaction from chromium powder placed over a lower surface of the cylindrical electrodes. The transitions with N=12−11 to 20−19 were measured in the region between 270 and 460 GHz. The rotational, centrifugal distortion and several fine-structure constants were obtained by a least squares analysis.