dimethylcadmium-d6 | 35133-31-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: dimethylcadmium-d6
• 英文别名: Perdeuterio-dimethyl-cadmium；Hexadeuterodimethylcadmium；deuterated dimethylcadmium；cadmium (2)H-dimethyl
• CAS: 35133-31-4
• 化学式: C₂H₆Cd
• 分子量: 148.432
• InChiKey: KVVGSXJGEUULNM-CKFJQVKPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  3.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  Germane;tetrahydrochloride 、 dimethylcadmium-d6 以 neat (no solvent) 为溶剂， 生成 deuterated tetramethylgermane
  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
• 作为产物：
  描述：

  氘代碘甲烷 、 cadmium(II) chloride 以 乙醚 为溶剂， 生成 dimethylcadmium-d6
  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

• The vibrational spectra and normal coordinate analysis of CF3HgCH3 and CF3HgCD3
  作者：R. Eujen

  DOI：10.1016/0022-2860(79)80319-1

  日期：1979.1

  infrared and Raman spectra of liquid CF 3 HgCH 3 and CF 3 HgCD 3 have been recorded and assigned for C 3V symmetry. Rotational structure of several perpendicular bands has been observed in the gas phase infrared spectrum. Assuming free internal rotation, Coriolis constants of 0.09 and 0.28 have been obtained from the analysis of ν as CH 3 and ρCH 3 , respectively. A normal coordinate analysis yielded the

  摘要 液体CF 3 HgCH 3 和CF 3 HgCD 3 的红外和拉曼光谱已被记录并分配为C 3V 对称性。在气相红外光谱中已经观察到几个垂直带的旋转结构。假设自由内旋，从 ν 作为 CH 3 和 ρCH 3 的分析中分别获得了 0.09 和 0.28 的科里奥利常数。法向坐标分析得出拉伸力常数 ƒ(CF) 4.90 N cm -1 、ƒ(HgCF 3 ) 2.04 N cm -1 和 ƒ(HgCH 3 ) 2.52 N cm -1 。气相和液相之间的光谱差异可能是由通过 Hg·F 接触的分子缔合引起的。