aluminum hydride-d1 | 22737-86-6

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 后过渡金属有机物
• 英文名称: aluminum hydride-d1
• 英文别名: Deuterioaluminum
• CAS: 22737-86-6
• 化学式: AlH
• 分子量: 28.9815
• InChiKey: SPRIOUNJHPCKPV-IEOVAKBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 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

反应信息

• 作为产物：
  描述：

  氘 、 氢化铝 以 neat (no solvent) 为溶剂， 生成 aluminum hydride-d1
  参考文献：
  名称：

  Laser spectroscopy in a pulsed jet of AlH: Ionization‐detected ultraviolet absorption spectra of the transitions C ¹Σ⁺–X ¹Σ⁺ and b ³Σ⁻–X ¹Σ⁺

  摘要：

  We report the production of radical transients AlH and AlD in a filament-source pulsed free-jet expansion. In this source, hydrogen gas from a pulsed valve passes over hot tungsten filament wrapped by a layer of aluminum wire. Liquid aluminum wetting the filament reacts rapidly to form (AlH3)x oligomer. Depending on filament temperature, either AlH or AlH2 sublimes from this oligomeric coating to be entrained in subsequent pulses of H2. The source has been characterized by laser induced fluorescence and ionization-detected one-photon absorption with time-of-flight mass resolution. Laser-induced fluorescence measurements focus on the well-known A–X transition of AlH. Higher energy ionization-detected absorption spectra resolve the C 1Σ+–X 1Σ+ transition in AlH and AlD, and for the first time the forbidden transition, b 3Σ−–X 1Σ+, in AlH. Spectroscopic constants determined from an analysis of bands assigned to v=0 and v=1 of the b 3Σ− state are Te = 40 524 cm−1, Be = 7.0675 cm−1, De = 6.1 × 10−5 cm−1, αe = 0.637 cm−1, βe = 6.38× 10−4, and γe = 1.5725, with v=0 spin–orbit and spin–rotation coupling parameters λ0=0.29 cm−1, and γ0=0.03 cm−1, inducing structure in a transition that appears to be predominantly parallel. For v=1, spin–orbit coupling is much stronger, and rotational branch intensities suggest interference, indicating that both parallel and perpendicular components of the transition moment contribute to the total oscillator strength. Results for the C–X (0–0) transitions give B0 = 6.3869 cm−1 and D0 = 5.329 × 10−4 with T0 = 44 594.05 cm−1 for the AlH C state, and B0 = 3.3457 cm−1 and D0 = 1.380× 10−4 cm−1 with T0 = 44 631.09 cm−1 for the AlD C state.

  DOI：

  10.1063/1.463192

文献信息

• Infrared Spectra of Aluminum Hydrides in Solid Hydrogen:  Al₂H₄ and Al₂H₆
  作者：Xuefeng Wang、Lester Andrews、Simon Tam、Michelle E. DeRose、Mario E. Fajardo

  DOI：10.1021/ja0353560

  日期：2003.7.1

  based on infrared spectra and the results of isotopic substitution (D(2), H(2) + D(2) mixtures, HD). Four new bands are assigned to Al(2)H(4) from annealing, photochemistry, and agreement with frequencies calculated using density functional theory. Ultraviolet photolysis markedly increases the yield of AlH(3) and seven new absorptions for Al(2)H(6) in the infrared spectrum of the solid hydrogen sample

  在 3.5 K 下共沉积过程中激光烧蚀的 Al 原子和正常 H(2) 的反应产生 AlH、AlH(2) 和 AlH(3)，基于红外光谱和同位素取代的结果 (D(2) , H(2) + D(2) 混合物，HD)。四个新波段被分配给 Al(2)H(4) 从退火、光化学和使用密度泛函理论计算的频率的协议。紫外光解显着增加了 AlH(3) 的产量和固体氢样品的红外光谱中 Al(2)H(6) 的七个新吸收。这些频率包括终端 Al-H(2) 和桥接 Al-H-Al 拉伸和 AlH(2) 弯曲模式，通过双桥接 Al(2)H(6) 的量子化学计算准确预测，这是一种与乙硼烷同构的分子. 对这些样品进行退火以去除 H(2) 矩阵会降低锐利的 AlH(3) 和 Al(2)H(6) 吸收并形成宽 1720 +/- 20 和 720 +/- 20 cm(-1) 波段，其中是由于固体 (AlH(3))(n)。与热铝原子和对位
• Experimental and theoretical investigation of the AlH b 3Σ−–a 3Π electronic transition
  作者：Chong Tao、Xiaofeng Tan、Paul J. Dagdigian、Millard H. Alexander

  DOI：10.1063/1.1573191

  日期：2003.6.15

  ture levels of electronically excited AlH/AlD(b 3Σ−,v′=0) were determined from fluorescence decay waveforms with laser excitation on isolated rotational lines. The measured lifetimes were compared with values obtained in a theoretical treatment of the excited-state decay dynamics, wherein both radiative decay to the a 3Π state and nonradiative decay through the repulsive 1 3Σ+ state were considered

  报道了 AlH 和 AlD 的 b 3Σ--a 3Π (0,0) 带的激光荧光激发光谱。通过光解三甲基铝与氢或氘反应，在自由射流超音速膨胀中制备 AlH/AlD(a 3Π) 态。上下振动能级的光谱常数来源于对旋转线的测量跃迁波数的拟合。J'=1 电子激发的 AlH/AlD(b 3Σ-,v'=0) 的旋转/精细结构水平的寿命由在孤立的旋转线上用激光激发的荧光衰减波形确定。将测得的寿命与在激发态衰变动力学的理论处理中获得的值进行比较，其中考虑到 3π 态的辐射衰变和通过排斥 1 3Σ+ 态的非辐射衰变。实验寿命和理论寿命非常吻合。理论处理表明，非辐射激发态衰变优于辐射衰变。欧...
• Laser spectroscopy in a pulsed jet of AlH: Ionization‐detected ultraviolet absorption spectra of the transitions <i>C</i> ¹Σ⁺–<i>X</i> ¹Σ⁺ and <i>b</i> ³Σ⁻–<i>X</i> ¹Σ⁺
  作者：Yi Fei Zhu、Rana Shehadeh、Edward R. Grant

  DOI：10.1063/1.463192

  日期：1992.7.15

  We report the production of radical transients AlH and AlD in a filament-source pulsed free-jet expansion. In this source, hydrogen gas from a pulsed valve passes over hot tungsten filament wrapped by a layer of aluminum wire. Liquid aluminum wetting the filament reacts rapidly to form (AlH3)x oligomer. Depending on filament temperature, either AlH or AlH2 sublimes from this oligomeric coating to be entrained in subsequent pulses of H2. The source has been characterized by laser induced fluorescence and ionization-detected one-photon absorption with time-of-flight mass resolution. Laser-induced fluorescence measurements focus on the well-known A–X transition of AlH. Higher energy ionization-detected absorption spectra resolve the C 1Σ+–X 1Σ+ transition in AlH and AlD, and for the first time the forbidden transition, b 3Σ−–X 1Σ+, in AlH. Spectroscopic constants determined from an analysis of bands assigned to v=0 and v=1 of the b 3Σ− state are Te = 40 524 cm−1, Be = 7.0675 cm−1, De = 6.1 × 10−5 cm−1, αe = 0.637 cm−1, βe = 6.38× 10−4, and γe = 1.5725, with v=0 spin–orbit and spin–rotation coupling parameters λ0=0.29 cm−1, and γ0=0.03 cm−1, inducing structure in a transition that appears to be predominantly parallel. For v=1, spin–orbit coupling is much stronger, and rotational branch intensities suggest interference, indicating that both parallel and perpendicular components of the transition moment contribute to the total oscillator strength. Results for the C–X (0–0) transitions give B0 = 6.3869 cm−1 and D0 = 5.329 × 10−4 with T0 = 44 594.05 cm−1 for the AlH C state, and B0 = 3.3457 cm−1 and D0 = 1.380× 10−4 cm−1 with T0 = 44 631.09 cm−1 for the AlD C state.
• High resolution infrared emission spectra of AlH and AlD
  作者：J. B. White、M. Dulick、P. F. Bernath

  DOI：10.1063/1.465612

  日期：1993.12

  High resolution infrared emission spectra of aluminum monohydride and monodeuteride have been recorded. Gaseous AlH and AlD were generated by reacting molten aluminum metal with hydrogen and deuterium gas. Approximately 265 AlH lines with v=1→0 to v=5→4 and 470 AlD lines with v=1→0 to v=7→6 are reported. Dunham Yij constants were obtained by fitting the data of each isotopomer separately to the Dunham energy level expression while mass-reduced Dunham Uij constants were obtained from a combined fit of all isotopomer data. A second set of Dunham Uij constants was obtained from a fit where Uij’s with j&lt;2 were treated as adjustable parameters and all remaining Uij’s fixed to values that satisfy the constraints imposed by the Dunham model. Finally, an effective Born–Oppenheimer potential was determined by fitting all the data directly to the eigenvalues of the radial Schrödinger equation containing a parametrized potential function.