iodosilane | 13550-48-6

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 英文名称: iodosilane
• 英文别名: deuteroiodosilane；Trideuterio(iodo)silane
• CAS: 13550-48-6
• 化学式: H₃ISi
• 分子量: 160.99
• InChiKey: IDIOJRGTRFRIJL-BMSJAHLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  iodosilane 以 neat (no solvent, gas phase) 为溶剂， 生成 deuteroiodosilylene
  参考文献：
  名称：

  单卤代甲硅烷基态的结构和光谱趋势：喷射冷却 HSiI 和 DSiI 的发射光谱

  摘要：

  喷射冷却的 HSiI 和 DSiI 的单振动能级发射光谱已经通过激光激发 A1A″-X1A′ 电子跃迁的选定波段来记录。这些数据已被用于推导两种同位素的基态谐波频率和非谐波。谐波频率的正常坐标分析产生了六个力常数中的五个的可靠值。使用先前确定的基态旋转常数和力场数据，计算平均 (rz) 和近似平衡 (rez) 结构，rez(SiH)=1.5151(2) A，rez(SiI)=2.4610(1) A，和 θez(HSiI)=92.5(1)°。比较单卤代硅烷的结构参数和振动频率的趋势表明，随着卤素取代的增加，键角显着增加，Si-H 键长略微减小。基于卤素取代基的感应效应和电负性，这些趋势已经合理化。

  DOI：

  10.1063/1.1535427
• 作为产物：
  描述：

  、 氢碘酸 以 not given 为溶剂， 生成 iodosilane
  参考文献：
  名称：

  High resolution infrared spectra and rovibrational analysis of the coupled ν2/ν5 bands of D3Si35Cl

  摘要：

  The Fourier transform infrared spectrum of monoisotopic (D3SiCl)-Cl-35 in the region of the nu(2)/nu(5) band system was recorded with a resolution of 2.4 x 10(-3) cm(-1). More than 9000 lines of the strongly Coriolis x,y-coupled bands, (nu(2))(0) = 701.936, and (nu(5))(0) =688.898 cm(-1), have been assigned, among them 276 forbidden but perturbation allowed transitions around avoided crossings according to Delta(k - l) = +/- 3 mechanisms. Three different models taking into account redundancies in the framework of unitary equivalent reductions of the rovibrational Hamiltonian have been employed to fit the data. All three models reproduced consistently the full data set employing 28 refined parameters with an rms deviation of 0.31 x 10(-3) cm(-1). The equivalence of the parameter sets was established by the agreement of parameter sums obtained with the different models. The analysis of the avoided crossings, together with the fit of the forbidden lines, allowed an independent determination of the ground state parameters A(0) and D-k(0). Combined with existing data for nu(1), nu(3), nu(4), and nu(6), the present results allowed the determination of experimental values, A(e) = 1.4371895(94) and B-e = 0. 19823049(59) cm(-1). The experimental results are compared with those of previous ab initio calculations of the anharmonic force field. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2004.11.061
• 作为试剂：
  描述：

  氰化银 在 iodosilane 作用下， 生成 Cyano-trideutero-silan
  参考文献：
  名称：

  Linton; Nixon, Spectrochimica Acta, 1958, vol. 10, p. 301,302,306

  摘要：

  DOI：

文献信息

• The electronic spectrum of monoiodosilylene (HSiI) revisited
  作者：Dennis J. Clouthier、Warren W. Harper、Chad M. Klusek、Tony C. Smith

  DOI：10.1063/1.477429

  日期：1998.11.8

  The Ã 1A″–X̃ 1A′ spectra of jet-cooled HSiI and DSiI have been studied using the pulsed discharge technique, using H3SiI and D3SiI as precursors. The excited state vibrational frequencies have been determined and the literature value of ν1′ substantially revised. Although a reliable excited state equilibrium structure was unattainable, the rotational constants of the 000 bands gave the structural parameters r0″(Si–I)=2.463(1) Å, r0″(Si–H)=1.534(1) Å, θ0″(HSiI)=92.4(1)°, r0′(Si–I)=2.436(1) Å, r0′(Si–H)=1.515(5) Å, and θ0′(HSiI)=114.9(2)°. The radiative lifetime of the 000 band has been measured to be 1230±30 ns. Trends in the structural parameters, vibrational frequencies, and their changes on electronic excitation for the monohalosilylenes have been discussed.