monobromogermylene | 37981-39-8

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 类金属盐
• 英文名称: monobromogermylene
• CAS: 37981-39-8
• 化学式: BrGeH
• 分子量: 153.502
• InChiKey: HKYTXVANCKGDGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 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

• 作为产物：
  描述：

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

  喷射冷却的HGeBr，DGeBr，HGeI和DGeI的基态能级和分子结构的单振动电子能级发射光谱研究。

  摘要：

  将基态有效旋转常数和力场数据组合起来，以计算平均值（r（z））和近似平衡（r（e）（z））结构。对于HGeBr r（e）（z）（GeH）= 1.593（9）A，r（e）（z）（GeBr）= 2.325（21）A，键角固定为CCSD（T）/ aug -cc-pVTZ的从头算值是93.6度。对于HGeI，我们获得了r（e）（z）（GeH）= 1.589（1）A，r（e）（z）（GeI）= 2.525（5）A和键角= 93.2度。使用从头开始的笛卡尔位移坐标对发射光谱进行Franck-Condon模拟，可以令人满意地重现观察到的强度分布。基于卤素取代基的电负性，可以容易地理解卤代亚甲基和卤代亚甲硅烷基中的结构参数的趋势。结合角固定在我们的CCSD（T）/ aug-cc-pVTZ从头算值93.6度。对于HGeI，我们获得了r（e）（z）（GeH）= 1.589（1）A，r（e）（z）（GeI）= 2

  DOI：

  10.1063/1.2355496

文献信息

• Laser-induced fluorescence spectroscopy of the à 1A′′—X̃ 1A′ transition of HGeBr
  作者：Haruhiko Ito、Eizi Hirota、Kozo Kuchitsu

  DOI：10.1016/0009-2614(91)85022-o

  日期：1991.2

  The A approximately 1A" - X approximately 1A' transition of the HGeBr molecule was observed in the region of 450-500 nm by laser-induced fluorescence spectroscopy. The transition wavenumbers of the K-subband heads in the (0 upsilon 0)-(000) bands for upsilon = 0, 1 and 2 were measured with a resolution of 0.04 cm-1. The molecular constants of the relevant vibronic levels were determined by a least-squares analysis of the observed wavenumbers.
• The electronic spectra of jet-cooled HGeCl and HGeBr
  作者：Warren W. Harper、Dennis J. Clouthier

  DOI：10.1063/1.475403

  日期：1998.1.8

  Laser-induced fluorescence spectra of jet-cooled HGeCl, DGeCl, HGeBr, and DGeBr have been obtained using the pulsed discharge technique. The germylenes were produced by an electric discharge through argon seeded with the appropriate monohalogermane (H3GeX or D3GeX). All three excited state vibrational frequencies have been obtained for each of the four molecules. Analysis of the rotational structure of the 000 bands of the Ã 1A″–X̃ 1A′ band system allowed the determination of r0 structures in the ground and excited states, with the bond angles constrained to previous ab initio values. The results for HGeCl are: r0″(Ge–Cl)=2.171(2) Å, r0″(H–Ge)=1.592(1) Å, θ0″(HGeCl)=94.3°, r0′(Ge–Cl)=2.146(15) Å, r0′(H–Ge)=1.613(2) Å, θ0′(HGeCl)=114.5°; and for HGeBr: r0″(Ge–Br)=2.329(12) Å, r0″(H–Ge)=1.598(6) Å, θ0″(HGeBr)=93.9°, r0′(Ge–Br)=2.308(1) Å, r0′(H–Ge)=1.615(1) Å, and θ0′(HGeBr)=116.3°. The radiative lifetimes of the Ã 1A″ states of HGeCl and HGeBr have been measured to be 548±19 ns and 736±24 ns, respectively.
• Single vibronic level emission spectroscopic studies of the ground state energy levels and molecular structures of jet-cooled HGeBr, DGeBr, HGeI, and DGeI
  作者：Brandon S. Tackett、Yunjing Li、Dennis J. Clouthier、Kezia L. Pacheco、G. Alan Schick、Richard H. Judge

  DOI：10.1063/1.2355496

  日期：2006.9.21

  Single vibronic level dispersed fluorescence spectra of jet-cooled HGeBr, DGeBr, HGeI, and DGeI have been obtained by laser excitation of selected bands of the A (1)A(")-X (1)A(') electronic transition. The measured ground state vibrational intervals were assigned and fitted to anharmonicity expressions, which allowed the harmonic frequencies to be determined for both isotopomers. In some cases, lack

  将基态有效旋转常数和力场数据组合起来，以计算平均值（r（z））和近似平衡（r（e）（z））结构。对于HGeBr r（e）（z）（GeH）= 1.593（9）A，r（e）（z）（GeBr）= 2.325（21）A，键角固定为CCSD（T）/ aug -cc-pVTZ的从头算值是93.6度。对于HGeI，我们获得了r（e）（z）（GeH）= 1.589（1）A，r（e）（z）（GeI）= 2.525（5）A和键角= 93.2度。使用从头开始的笛卡尔位移坐标对发射光谱进行Franck-Condon模拟，可以令人满意地重现观察到的强度分布。基于卤素取代基的电负性，可以容易地理解卤代亚甲基和卤代亚甲硅烷基中的结构参数的趋势。结合角固定在我们的CCSD（T）/ aug-cc-pVTZ从头算值93.6度。对于HGeI，我们获得了r（e）（z）（GeH）= 1.589（1）A，r（e）（z）（GeI）= 2