silane-d2 | 69103-83-9

• 英文名称: silane-d2
• CAS: 69103-83-9
• 化学式: H₂Si
• 分子量: 32.0855
• InChiKey: XMIJDTGORVPYLW-DICFDUPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.92
• 重原子数：
  1.0
• 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：

  silane-d2 、 氢气 以 gas 为溶剂， 生成 silacarbene
  参考文献：
  名称：

  Faraday communications. First kinetic measurements on SiD2 : absolute rate constant for the reaction SiD2+ H2

  摘要：

  通过激光闪烁光解苯基[2H3]硅烷产生的SiD2是通过其Ã(1B1)↠X(1A1)吸收带中的ro-振动转变而被检测到的。在时间分辨研究中首次对其进行了监测，得出反应 SiD2+ H2 的绝对速率常数为 (3.8 ± 0.2)× 10-12 cm3 molecule-1 s-1。同时还观察到了该反应的产物 SiH2。

  DOI：

  10.1039/ft9938904405
• 作为产物：
  描述：

  phenylsilane-d3 以 gaseous matrix 为溶剂， 生成 silane-d2
  参考文献：
  名称：

  Jet spectroscopy and excited state dynamics of SiH₂ and SiD₂

  摘要：

  Silylene radicals, SiH2 and SiD2, are generated in a supersonic free jet by ArF laser (193 nm) photolysis of phenylsilane and phenylsilane-α-d3, respectively. LIF excitation and dispersed fluorescence spectra are measured for the ν2 vibronic bands of the Ã 1B1−X̃ 1A1 transition. The heterogeneous predissociation to Si (3P)+H2 is proposed from the anomalous rotational structure in the excitation spectra; the rotational lines of the r(1) subbranch (K′a=0←K■a=1) have stronger intensity than those of the r(0) subbranch (K′a=1←K■a=0), though the latter is expected to be stronger due to the low temperature Boltzmann distribution in the jet. The time-resolved excitation spectra demonstrate shorter lifetime of K′a=1 rovibronic levels in the Ã 1B1 state. The heterogeneous predissociation is interpreted with the second order perturbation: Ã 1B1 –(a-type Coriolis)→X̃ 1A1 -(spin–orbit)→ã 3B1→Si(3P)+H2. It is demonstrated experimentally that there is a potential barrier associated with the dissociation path of ã 3B1→Si(3P)+H2, the height of which is estimated to be 1540–2160 cm−1 from the bottom of the Ã 1B1 state. The electronic transition moment of the Ã 1B1–X̃ 1A1 transition is estimated to be ‖μe‖2=0.26e2a20 from the Einstein equation for spontaneous emission using measured fluorescence lifetimes for single rovibronic levels with Ka=0 and calculated Franck–Condon factors. The onset of a second predissociation channel, Ã 1B1→Si(1D)+H2, at the (0,7,0) vibronic level of SiH2 Ã 1B1 is manifested as a sharp decrease in the observed fluorescence lifetime for the v′2=7, J′=0 level relative to that predicted for a pure radiative lifetime.

  DOI：

  10.1063/1.462479

文献信息

• Matrix isolation studies of the reactions of silicon atoms with molecular hydrogen. The infrared spectrum of silylene
  作者：Leif Fredin、Robert H. Hauge、Zakya H. Kafafi、John L. Margrave

  DOI：10.1063/1.448933

  日期：1985.4.15

  Silicon spontaneously inserts into the H–H bond of molecular hydrogen to form silylene in solid argon at 10 K. Infrared frequencies for the three fundamental modes of SiH2, SiHD, and SiD2 have been measured. The band assignments in the present study are totally different from those reported from a previous vacuum-ultraviolet photolysis study of SiH4. Silylene, formed from the molecular hydrogen reaction with silicon, reacts further with a second hydrogen molecule to give SiH4. The force field of SiH2 has been determined through normal coordinate analysis. Thermodynamic functions have also been calculated for this triatomic molecule.
• Rotational analysis of the SiD2 Ã 1B1–X̃ 1A1 transition observed in a jet
  作者：Masaru Fukushima、Kinichi Obi

  DOI：10.1063/1.467085

  日期：1994.5.1

  The SiD2 radical was produced by ArF laser photolysis of C6H5SiD3 in a free-jet expansion, and the laser-induced fluorescence (LIF) excitation spectrum of the Ã 1B1–X̃ 1A1 transition of SiD2 was measured. The LIF excitation spectra of the five vibronic bands, (0,v2′,0)–(0,v2″,0), v2′–v2″= 0–0, 1–0, 2–0, 1–1, and 2–2, were obtained using a narrow-band dye laser with an intracavity étalon, the resolution of which attained to ∼0.03 cm−1. The rotational structures of the vibronic bands were well analyzed by a Hamiltonian including fourth-order terms, and the molecular constants were determined for the vibronic levels, v2=0, 1, and 2, of the Ã 1B1 and X̃ 1A1 states. By comparing the observed rotational line intensities with simulated ones, we found two kinds of intensity anomalies depending on the rotational quantum numbers J and Ka. We conclude that both the anomalies are caused by a predissociation process to the dissociation continuum, Si(3P)+D2, which was proposed in our previous paper [J. Chem Phys. 96, 44 (1992)]. The Ka dependent anomaly was explained by the interaction terms in the Fermi Golden Rule expression for the predissociation process, and the J dependence was interpreted by the final-state density.