Tetra-(trideutero)methylgermanium | 29124-46-7

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: Tetra-(trideutero)methylgermanium
• 英文别名: deuterated tetramethylgermane；tetramethylgermane-d12；Tetrakis(trideuteriomethyl)germane
• CAS: 29124-46-7
• 化学式: C₄H₁₂Ge
• 分子量: 144.634
• InChiKey: ZRLCXMPFXYVHGS-MGKWXGLJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.95
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  Tetra-(trideutero)methylgermanium 以 not given 为溶剂， 生成 1-germavinylidene
  参考文献：
  名称：

  锗的基态 (H2C=Ge)

  摘要：

  通过在喷射冷却的 H2CGe 和 D2CGe 的 B1B2-X1A1 电子跃迁中泵送单个振动带获得单振动能级发射光谱。光谱分析首次给出了以下基态基本频率：对于 H2CGe，ν2=1238 cm-1，ν3=782 cm-1，ν4=673 cm-1，ν6=351 cm-1，和对于 D2CGe，ν1=2089 cm-1，ν2=1000 cm-1，ν3=694 cm-1，ν4=520 cm-1，ν6=282 cm-1。振动数据已与我们先前确定的分子结构相结合，以获得基态和激发态的近似谐波力场。Franck-Condon 对谐波近似中的发射光谱的模拟显示出与实验的合理一致性，除了面外弯曲模式中的意外活动。这归因于 S2 激发态中非常非谐的平面外弯曲电位。Germylidene 还具有非常低的基态 CH2 摇摆频率 (ν6)，其沿法线坐标导致异构化为 ...

  DOI：

  10.1063/1.1431274
• 作为产物：
  描述：

  氘代碘甲烷 、 四氯化锗 以 not given 为溶剂， 生成 Tetra-(trideutero)methylgermanium
  参考文献：
  名称：

  The electronic spectrum, molecular structure, and oscillatory fluorescence decay of jet-cooled germylidene (H2C=74Ge), the simplest unsaturated germylene

  摘要：

  The electronic spectrum of germylidene (H2C=Ge), the simplest unsaturated germylene, has been observed for the first time. Jet-cooled H2CGe and D2CGe were produced by an electric discharge through tetramethylgermane diluted in argon at the exit of a supersonic expansion. High-resolution spectra of H2C74Ge and D2C74Ge, obtained from (CH3)474Ge prepared from isotopically enriched Ge74 metal, have been rotationally analyzed to yield the following r0 structures: r0″(CGe)=1.7908(2) Å, r0″(CH)=1.1022(5) Å, θ0″(HCH)=115.05(5)°, r0′(CGe)=1.914(4) Å, r0′(CH)=1.082(9) Å, and θ0′(HCH)=139.3(11)°. The 367–354 nm B̃1B2–X̃ 1A1 band system consists of prominent perpendicular bands involving the CGe stretching (ν3) and CH2 scissors (ν2) vibrations and a weaker series of vibronically induced parallel bands involving the CH2 rocking mode (ν6). Vibronic bands involving Δv=2 changes in ν6(b2) and ν4(b1) have also been assigned. The fluorescence decays of single rotational levels of the 000 band of H2C74Ge exhibit molecular quantum beats for about 70% of the levels surveyed. Density of states arguments reveal that most of the beats originate from interactions with high rovibronic levels of the ground state. In one case, hyperfine splittings in the Fourier transform of the beat pattern indicate an accidental coincidence with an excited triplet state level. The less frequent occurrence of quantum beats in germylidene compared to silylidene, where they are almost universal, can be attributed to the smaller density of ground state levels at the zero-point energy of the S2 state in the former.

  DOI：

  10.1063/1.479187

文献信息

• Vibrational spectra of (CD3)3MX and normal coordinate calculations for (CH3)3MX and (CD3)3MX (M = Ge, Sn; X = Cl, Br)
  作者：Yoshika Imai、Koyo Aida、Ken-ichi Sohma、Fumio Watari

  DOI：10.1016/s0277-5387(00)80827-x

  日期：1982.1

  Abstract IR (4000-30 cm−1) and Raman (4000-0 cm−1) spectra of (CH3)3MX (M = Ge, Sn; X = Cl, Br) have been recorded, together with those of (CD3)3MX. By assuming the C3v, molecular symmetry, all the active fundamentals except an internal torsion have been assigned and normal coordinate calculations have been carried out to confirm the proposed assignments by a symmetry force field for (CH3)3MX and (CD3)3MX

  摘要记录了（CH3）3MX（M = Ge，Sn; X = Cl，Br）和（CD3）的IR（4000-30 cm-1）和拉曼（4000-0 cm-1）光谱。 3MX。通过假定分子对称的C3v，分配了除内部扭转以外的所有有效基本原理，并进行了正态坐标计算，以通过（ ）3MX和（CD3）3MX的对称力场确认建议的分配。
• The Renner-Teller effect and Sears resonances in the ground state of the GeCH and GeCD free radicals
  作者：Sheng-Gui He、Haiyang Li、Tony C. Smith、Dennis J. Clouthier、Anthony J. Merer

  DOI：10.1063/1.1618219

  日期：2003.11.15

  The vibrational energy levels of the jet-cooled GeCH and GeCD radicals have been studied by a combination of laser-induced fluorescence and wavelength-resolved emission techniques. The radicals were produced in a pulsed electric discharge free jet expansion using methyltrichlorogermane and tetramethylgermane-d12 precursors. A re-examination of the weaker hot bands in the LIF spectrum has provided a

  通过结合激光诱导荧光和波长分辨发射技术，研究了喷射冷却的 GeCH 和 GeCD 自由基的振动能级。使用甲基三氯锗烷和四甲基锗烷-d12 前体在脉冲放电自由射流膨胀中产生自由基。对 LIF 谱中较弱的热带的重新检查提供了对上能级能级的更完整的振动分析。分析了通过泵浦每个同位素的几个波段获得的单振动能级发射光谱，以提供关于零点能级以上高达 3000 cm-1 的低位基态振动能级的信息。这些分子在具有相同 P 值但相差一个单位 v2 的振动能级之间发生强烈的相互作用；Northrup 和 Sears [Mol。物理。71, 45 (1990)] 并且方便地称为“西尔斯共振”。GeCH 的光谱被进一步复杂化...