oxo(oxomethylidene)titanium | 159696-27-2

• 分子结构分类: 无机化合物
• 英文名称: oxo(oxomethylidene)titanium
• CAS: 159696-27-2
• 化学式: CO₂Ti
• 分子量: 91.8898
• InChiKey: VXSHAKJCJYPQTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

文献信息

• Infrared Spectra and Density Functional Calculations for OMCO, OM−(η²-CO), OMCO⁺, and OMOC⁺ (M = V, Ti) in Solid Argon
  作者：Mingfei Zhou、Lester Andrews

  DOI：10.1021/jp9844009

  日期：1999.4.1

  Laser-ablated V and Ti atoms react with CO2 molecules to give primarily the insertion products, OMCO and O2M(CO)(2), which have been isolated in a solid argon matrix. Photoisomerization of OMCO molecules to form the side-bonded OM-(eta(2)-CO) isomers and photoionization to give the OMCO+ and OMOC+ cations proceed upon mercury are photolysis. The product absorptions were identified by isotopic substitution and density functional calculations of isotopic frequencies.