氯化钙 | 15606-71-0

• 中文名称: 氯化钙
• 英文名称: calcium monochloride
• 英文别名: calcium chloride
• CAS: 15606-71-0
• 化学式: CaCl
• 分子量: 75.531
• InChiKey: WGPMOVAPQPJDDK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 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

• 作为反应物：
  描述：

  铀 、 氯化钙 以 gas 为溶剂， 生成 uranium monochloride
  参考文献：
  名称：

  Thermochemical studies of the gaseous uranium chlorides

  摘要：

  The gaseous uranium halides UCl, UCl2, UCl3, UCl4, and UCl5 were generated under equilibrium conditions using several types of effusive beam sources, and were identified and characterized thermochemically by mass spectrometry. Five independent gaseous equilibria involving these species were studied in sufficient depth so that both reaction enthalpy and entropy changes could be evaluated accurately from second law analysis. The enthalpy data yield the sequence of bond dissociation energies at 298 K in kcal/mol: D° (U–Cl)=108; D° (ClU–Cl)=117; D° (Cl2U–Cl)=117; D° (Cl3U–Cl)=101; and D° (Cl4U–Cl)=50, all ±2 kcal/mol. As expected, the absolute entropies of the gaseous chlorides show that the electronic partition functions of the lighter species are substantial at the experimental temperatures, leading to electronic entropies of 5–7 cal/deg mol at about 2100 K.

  DOI：

  10.1063/1.446811
• 作为产物：
  描述：

  2-氯丙烷 、 calcium 以 gaseous matrix 为溶剂， 生成 氯化钙
  参考文献：
  名称：

  亚稳态Ca ＊，Sr ＊原子与异构丙基卤化物化学发光反应中的立体效应

  摘要：

  在束流-气体装置中研究了亚稳碱土原子与正卤和支链丙基卤的反应。观察到钙和锶反应的碱土金属卤化物的化学发光光谱。发现CaX（）支化比率存在一些差异，这与靶标的异构体变异有关。Mg ＊和Ca ＊反应的总碰撞截面与异构体取代无关。对于锶，异丙基碘的值比正常丙碘靶的值高50％。发现钙与丙碘化物和丙氯的反应在化学发光横截面上存在差异。

  DOI：

  10.1016/s0009-2614(99)00676-4

文献信息

• Electronic spectroscopy of the alkaline-earth halide cluster Ca2Cl3
  作者：Julio D. Lobo、Andrei Deev、Chi-Kin Wong、James M. Spotts、Mitchio Okumura

  DOI：10.1063/1.1353547

  日期：2001.5.22

  A visible spectrum of the cluster Ca_2Cl_3 was observed from 651 to 630 nm by 1 + 1[prime] resonant multiphoton ionization spectroscopy. Spectra were obtained for each of the four isotopomers: Ca2 35Cl3, Ca2 35Cl2 37Cl, Ca2 35Cl 37Cl2, and Ca2 37Cl3. The spectra were composed of a strong origin band at 15 350.8 cm^(–1) and several very weak vibronic bands. All of the bands were sharp with partially

  通过 1 + 1[prime] 共振多光子电离光谱，在 651 至 630 nm 范围内观察到 Ca_2Cl_3 簇的可见光谱。获得了四种同位素中的每一种的光谱：Ca2 35Cl3、Ca2 35Cl2 37Cl、Ca2 35Cl 37Cl2 和 Ca2 37Cl3。光谱由 15 350.8 cm^(–1) 处的强源带和几个非常弱的振动带组成。所有的条带都很清晰，具有部分分辨的旋转条带轮廓。密度泛函计算预测了三种最小能量异构体。光谱被分配给最低能量异构体的 2B2<--X-代字号 2A1 跃迁，平面 C2v 结构具有一个由两个 Cl 和两个 Ca 原子组成的环以及一个末端 Cl 原子。Ca_2Cl_3 的环状异构体具有定位在一个 Ca^(2+) 离子上的未配对电子以形成 Ca^+ 发色团。另外两种预测的异构体，
• High‐temperature equilibrium studies of the gaseous thorium chlorides
  作者：K. H. Lau、D. L. Hildenbrand

  DOI：10.1063/1.458335

  日期：1990.5.15

  High-temperature gaseous equilibria among the species Th, ThCl, ThCl2, and ThCl3 were studied by mass spectrometry over broad temperature ranges; both enthalpy and entropy data were derived by the second law procedure. In addition, the sublimation of ThCl4 was studied by the torsion-effusion method and the thermodynamics of the gaseous tetrachloride were evaluated. Individual bond dissociation energies in ThCl4 fall within the range 489–545 kJ mol−1, and vary with ligand number in a way similar to ThF4. Only ThCl appears to have a significant electronic entropy in the experimental temperature range. For ThCl4 the experimental entropy indicates the likelihood of a regular tetrahedral structure as with ThF4, but unlike the uranium tetrahalides which appear to be distorted tetrahedra. In the mass spectrum of ThCl4, the fragment ions ThCl+3, ThCl+2, and ThCl+ show a larger and more nearly correct temperature dependence than the parent ion ThCl+4. Results are compared with those of other thorium and uranium halides.
• Effect of atomic reagent approach geometry on electronic state branching: The Ca(¹<i>P</i>₁) + HCl reaction
  作者：Charles T. Rettner、Richard N. Zare

  DOI：10.1063/1.442435

  日期：1981.10

  The influence of the alignment of the laser-excited Ca(1P1) reagent on the chemiluminescent reaction Ca(1P1)+ HCl→CaCl(A2∏,B2Σ+) + H is discussed. (AIP)
• On the determination of<i>D</i>⁰₀(CaCl) from translational energy threshold measurements
  作者：M. Menéndez、M. Garay、E. Verdasco、A. González Ureña

  DOI：10.1063/1.465184

  日期：1993.8.15

  By using the crossed-beam technique the translational energy threshold for the Ca(3PJ)+HCl→CaCl (A 2Π)+H chemiluminescent reaction was found to be E0=350±60 meV. By means of energy balance relations, a value of D00 (CaCl)=4.2±0.09 eV was obtained. The potentiality of the present method, based on translational energy measurements, to determine dissociation energies is addressed.
• State selective reactions prepared through the excitation of orbital states in van der Waals complexes of Ca–HX*
  作者：B. Soep、S. Abbès、A. Keller、J. P. Visticot

  DOI：10.1063/1.462884

  日期：1992.1

  We have observed the chemiluminescent reaction Ca*+HX→CaX*+H, where the reactants are prepared in a van der Waals complex formed in a supersonic expansion. This preparation, combined with tunable laser excitation, allows access to well-defined electronic states of the reaction complex corresponding to different orientations of the calcium excited orbital. In the case of the Ca–HBr complex, a remarkable effect of this preparation is observed on the branching ratio to the final excited states A 2Π and B 2Σ of CaBr: Depending upon the selected state of the complex, the A/B ratio varies by a factor of 2. This is interpreted by the conservation of the orbital orientation during the reaction involving the departure of the hydrogen.