硅烷 | 13537-07-0

• 物质功能分类: 化学试剂 - 有机试剂 - 硅烷
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 中文名称: 硅烷
• 英文名称: silane-d4
• 英文别名: deuterated silane；<²H4>Silan；silane；(2H4)Silane；tetradeuteriosilane
• CAS: 13537-07-0
• 化学式: H₄Si
• 分子量: 36.0855
• InChiKey: BLRPTPMANUNPDV-JQYAHLJZSA-N

物化性质

• 熔点：
  −185 °C(lit.)
• 沸点：
  -112°C
• 密度：
  1.114 g/mL at 25 °C(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.45
• 重原子数：
  1
• 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

安全信息

• 危险品标志：
  Xn,F
• 安全说明：
  S16,S33,S36/37/39,S9
• 危险类别码：
  R12
• 危险品运输编号：
  UN 2203

反应信息

• 作为反应物：
  描述：

  硅烷 在 Cl₂ 作用下， 生成 silyl-d3 radical
  参考文献：
  名称：

  Multiphoton ionization of SiH₃ and SiD₃ radicals: Electronic spectra, vibrational analyses of the ground and Rydberg states, and ionization potentials

  摘要：

  The electronic spectra of silyl radicals, SiH3 and SiD3, were observed between 310 and 430 nm (46 000–64 000 cm−1) by resonance enhanced multiphoton ionization (REMPI) mass spectroscopy. The spectra were generated through a 2+1 REMPI mechanism. Two Rydberg series originating from planar, D3h point group states were observed. One series, of quantum defect δ=1.45(2), is comprised of the Ẽ 2A″2 (4p), J̃ 2A″2(5p), and M̃ 2A″2(6p) Rydberg states which have origins at ν0–0 =48 438, 56 929, and 60 341 cm−1 in SiH3 and at ν0–0 =48 391, 56 874, and 60 267 cm−1 in SiD3. In SiD3 the P̃ 2A″2(7p) Rydberg origin was observed at ν0–0 =62 002 cm−1. The H̃, K̃, and Ñ states observed in the SiD3 spectrum comprise the second Rydberg series, δ=2.09, and were tentatively assigned as ns 2A′1 Rydberg states (n=5, 6, 7). The K̃ and Ñ origins were observed at ν0–0 =58 417 and 61 005 cm−1. A fit of the Rydberg formula to the np 2A″2(n≥5) origins found the adiabatic ionization potential of the SiH3 and SiD3 radicals to be IPa=8.135(+5,−2) eV and IPa=8.128(1) eV, respectively. Detailed vibrational analyses of these Rydberg states are presented. Analysis showed that in the Ẽ 2A″2 (4p) state of the SiH3 radical ω2 (a″2 symmetric bend)=796(7) and 2ω4 /2(e′ degenerate bend)=870(5) cm−1 and that in SiD3 radical ω′1 (a1 SiH3 symmetric stretch)=1576(3), ω′2 =589(3), and 2ω4 /2=635(6) cm−1. The REMPI spectra exhibited ν″2 hot bands from vibrational levels as high as Ev =2073 cm−1 in the X̃ 2A1state. Modeling calculations, which fit the numerous ν″2 hot bands, predicted barriers to inversion of Binv =1935 cm−1 and Binv =1925 cm−1 for SiH3 and SiD3 X̃ 2A1 radicals, respectively.

  DOI：

  10.1063/1.456909
• 作为产物：
  描述：

  四氯化硅 在 lithium aluminium deuteride 作用下， 以 乙醚 为溶剂， 生成 硅烷
  参考文献：
  名称：

  通过卢瑟福反冲测量由 SiH4-D2 和 SiD4-H2 制备的薄膜中的 H 和 D 来研究 a-Si:H 生长机制

  摘要：

  a-Si:H 薄膜是在 SiH4-D2 或 SiD4-H2 混合物中通过射频辉光放电制备的，并通过卢瑟福前向反冲测量分析 H 和 D，以研究其生长机制。在低功率射频放电中，即使在 SiH4(1 vol)-D2(4 vol) 混合物中，a-Si:H 薄膜中的 H 原子也多于 D 原子。随着射频功率的增加，薄膜中的 H 与 D 比率接近我们实验中射频功率范围相对较高的气体中的比率，但在 a-Si:H 的实际生产中是常见的。发现这两个比率几乎相等，与气体成分无关。

  DOI：

  10.1063/1.94686

文献信息

• Infrared Spectra of Group 14 Hydrides in Solid Hydrogen:  Experimental Observation of PbH₄, Pb₂H₂, and Pb₂H₄
  作者：Xuefeng Wang、Lester Andrews

  DOI：10.1021/ja029862l

  日期：2003.5.1

  and Pb atoms have been co-deposited with pure hydrogen at 3.5 K to form the group 14 hydrides. The initial SiH(2) product reacts completely to SiH(4), whereas substantial proportions of GeH(2), SnH(2), and PbH(2) are trapped in solid hydrogen. Further hydrogen atom reactions form the trihydride radicals and tetrahydrides of Ge, Sn, and Pb. The observation of PbH(4) at 1815 cm(-)(1) and PbD(4) at 1302

  激光烧蚀的 Si、Ge、Sn 和 Pb 原子与纯氢在 3.5 K 下共沉积，形成 14 族氢化物。最初的 SiH(2) 产品与 SiH(4) 完全反应，而 GeH(2)、SnH(2) 和 PbH(2) 的很大比例被困在固体氢中。进一步的氢原子反应形成 Ge、Sn 和 Pb 的三氢化物自由基和四氢化物。1815 cm(-)(1) 处的 PbH(4) 和 1302 cm(-)(1) 处的 PbD(4) 的观察结果与这些不稳定的甲烷四氢化物类似物的量子化学计算的预测一致。此外，新的吸收被观察到 Pb(2)H(2) 和 Pb(2)H(4)，它们具有基于量子化学计算的双桥结构。
• Optical loss mechanisms in GeSiON planar waveguides
  作者：A. V. Osinsky、R. A. Bellman、I. A. Akwani、P. A. Sachenik、S. L. Logunov、J. W. McCamy

  DOI：10.1063/1.1507611

  日期：2002.9.9

  found to dominate the optical loss in the 1.5–1.6 μm range in high index GeSiON-based planar waveguides deposited by plasma-enhanced chemical vapor deposition using hydrogen-based precursors. The fundamental N–H bond-related absorption and its double frequency overtone were measured to be ∼560 cm−1 and 1.8 cm−1, respectively, resulting in their ratio of 310±10. The optical loss, extracted from analysis

  在使用氢基前驱体通过等离子体增强化学气相沉积沉积的高指数 GeSiON 基平面波导中，与基本 N-H 键相关的振动的双频泛音主导了 1.5-1.6 μm 范围内的光学损耗。基本的 N-H 键相关吸收及其双频泛音测量分别为~560 cm-1 和 1.8 cm-1，导致它们的比率为 310±10。从 N-H 相关吸收分析中提取的光损耗与波导结构中直接测量的光损耗一致。结果表明，使用氘化前体会导致在 GeSiON 薄膜中掺入 N-D 键。氘代薄膜中的 N-H 键吸收带被消除，导致通信带中的光损耗低。
• Silylidyne, HSi≡MoH₃ and HSi≡WH₃, and Silyl Metal Hydride, SiH₃—CrH, Products in Silane Reactions
  作者：Xuefeng Wang、Lester Andrews

  DOI：10.1021/ja710810x

  日期：2008.5.1

  Laser-ablated group 6 metal atoms react with silane to form inserted SiH 3-MH hydride intermediates, which are identified from M-H and Si-H stretching modes. Following two successive alpha-H-transfers, the HSiMH 3 (M = Mo, W) silylidyne molecules are produced. These silicon-metal triple-bonded species are identified as major products from the strong M-H stretching modes through deuterium substitution

  激光烧蚀的第 6 族金属原子与硅烷反应形成插入的 SiH 3-MH 氢化物中间体，可通过 MH 和 Si-H 拉伸模式识别。在两次连续的 α-H-转移之后，产生了 HSiMH 3 (M = Mo, W) 甲硅烷基炔分子。这些硅金属三键物种被确定为强 MH 拉伸模式的主要产物，通过氘取代并与来自密度泛函计算和类似亚甲基的频率和强度进行比较。甲硅烷基炔已计算出 C 3 v 结构和比硅烷更长的 Si-H 键，但 C 3 v 甲基炔类似物具有比甲烷更短的 CH 键。SiMo 和 SiW 键的极化方式不同，有效键级比它们的碳类似物略低。此外，
• Reaction of H atoms with some silanes and disilanes. Rate constants and Arrhenius parameters
  作者：Neville L. Arthur、Peter Potzinger、Bruno Reimann、H. Peter Steenbergen

  DOI：10.1039/f29898501447

  日期：——
• Matrix reactions of silane and germane with fluorine: infrared spectra of several hydrogen fluoride product complexes
  作者：Thomas C. McInnis、Lester Andrews

  DOI：10.1021/j100192a020

  日期：1992.6

  Silane and germane were condensed with F2 at high dilution in argon on a 13 +/- 1 K substrate. Weak product complexes produced on condensation and increased by ultraviolet photolysis are assigned to SiH3F--HF, SiH2--HF or SiH2--(HF)2, and HSiF--HF. Annealing produced new bands due to F atom reactions that are attributed to SiH3-HF. The GeH3F molecule was observed in the similar GeH3F--HF complex. H-F vibrations in these complexes suggest that F is more basic in GeH3F than in SiH3F owing to the more electropositive nature of germanium as compared to silicon.