titanium dimer

• 分子结构分类: 无机化合物 - 均相金属化合物 - 均相过渡金属化合物
• 英文名称: titanium dimer
• 英文别名: titanium；(titanium)2
• 化学式: Ti₂
• 分子量: 95.76
• InChiKey: NMJKIRUDPFBRHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 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

• 作为反应物：
  描述：

  氮气-15N2 、 titanium dimer 以 solid matrix 为溶剂， 生成 Ti(μN)2Ti
  参考文献：
  名称：

  Ti二聚体裂解N2三键：通向分子材料以激活二氮的途径？

  摘要：

  DOI：

  10.1002/anie.200503709
• 作为产物：
  描述：

  四氢化物钛 以 gaseous matrix 为溶剂， 生成 titanium dimer
  参考文献：
  名称：

  Dititanium and divanadium

  摘要：

  The Ar+ laser-excited spectrum of matrix-isolated V2 consists of a resonance Raman progression with ωe=537.5 cm−1 and ωexe=4.2 cm−1. With increasing laser power several members of an anti-Stokes progression and sequence components on both Stokes and anti-Stokes members of this progression were observed and attributed to transitions originating from vibrationally excited stated populated as a result of laser irradiation. A second system with ωe=508 and ωexe=3.3 cm−1 also grew in with increasing laser power and 496.5 nm excitation. This was interpreted as a resonance Raman progression within an electronically excited state (A) of V2. The electronic resonance Raman spectrum corresponding to the A→X transition was also observed as well as one to another low-lying electronic excited state. The v′=0 level of state A was found to lie 1860 cm−1 above the v″=0 level of the ground state. The multiple photon nature of the transitions discussed above was determined by performing laser power measurements. The resonance Raman spectrum of Ti2 was excited with HeNe and dye laser illumination in solid argon matrices containing titanium. As with V2, laser irradiation populated excited vibrational states of the ground state, producing an anti-stokes, resonance Raman progression. Isotopic components of Ti2 were resolvable under high resolution, corroborating the assignment. A discussion of multiple bonding in transition metal dimers is presented which shows that the contribution of bonds originating from the atomic d orbitals do not always contribute uniformly to the metal–metal force constant. Hence the formal bond order is not always a good gauge of the bond strength of a transition metal dimer.

  DOI：

  10.1063/1.440143

文献信息

• Synthesis and crystal structure of NaTi2O4: A new mixed-valence sodium titanate
  作者：J. Akimoto、H. Takei

  DOI：10.1016/0022-4596(89)90268-5

  日期：1989.4

  A new sodium titanate, NaTi2O4, is black in color, has a needle shape, and crystallizes in the orthorhombic calcium ferrite-type structure, space group Pnam with a = 9.2615(10) Å, b = 10.7357(7)Å, c = 2.9556(3) Å, and Z = 4. The structure was determined from a single-crystal X-ray study and refined to the conventional values R = 0.029 and Rw = 0.034 for 1856 observed reflections. The framework structure

  一种新的钛酸钠NaTi 2 O 4为黑色，呈针状，并在正交晶的铁酸钙型结构中结晶，空间群Pnam的a = 9.2615（10）Å，b = 10.7357（7）Å ，c = 2.9556（3）Å，Z =4。该结构是根据单晶X射线研究确定的，并针对1856年观察到的反射将其精炼为常规值R = 0.029和R w = 0.034。框架结构由“双金红石”链构建而成，并且两种类型的Ti位点被Ti 3+和Ti 4+离子随机占据。
• Dititanium and divanadium
  作者：C. Cossé、M. Fouassier、T. Mejean、M. Tranquille、D. P. DiLella、M. Moskovits

  DOI：10.1063/1.440143

  日期：1980.12.15

  The Ar+ laser-excited spectrum of matrix-isolated V2 consists of a resonance Raman progression with ωe=537.5 cm−1 and ωexe=4.2 cm−1. With increasing laser power several members of an anti-Stokes progression and sequence components on both Stokes and anti-Stokes members of this progression were observed and attributed to transitions originating from vibrationally excited stated populated as a result of laser irradiation. A second system with ωe=508 and ωexe=3.3 cm−1 also grew in with increasing laser power and 496.5 nm excitation. This was interpreted as a resonance Raman progression within an electronically excited state (A) of V2. The electronic resonance Raman spectrum corresponding to the A→X transition was also observed as well as one to another low-lying electronic excited state. The v′=0 level of state A was found to lie 1860 cm−1 above the v″=0 level of the ground state. The multiple photon nature of the transitions discussed above was determined by performing laser power measurements. The resonance Raman spectrum of Ti2 was excited with HeNe and dye laser illumination in solid argon matrices containing titanium. As with V2, laser irradiation populated excited vibrational states of the ground state, producing an anti-stokes, resonance Raman progression. Isotopic components of Ti2 were resolvable under high resolution, corroborating the assignment. A discussion of multiple bonding in transition metal dimers is presented which shows that the contribution of bonds originating from the atomic d orbitals do not always contribute uniformly to the metal–metal force constant. Hence the formal bond order is not always a good gauge of the bond strength of a transition metal dimer.
• Cleavage of the N2 Triple Bond by the Ti Dimer: A Route to Molecular Materials for Dinitrogen Activation?
  作者：Hans-Jörg Himmel、Olaf Hübner、Wim Klopper、Laurent Manceron

  DOI：10.1002/anie.200503709

  日期：2006.4.21