tribenzyl titanium | 64116-61-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tribenzyl titanium
• 英文别名: tribenzyltitanium；Tribenzyltitan
• CAS: 64116-61-6
• 化学式: C₂₁H₂₁Ti
• 分子量: 321.278
• InChiKey: JOPXYMRYZJDPOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.62
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  3.0
• 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：

  tribenzyl titanium 在 盐酸 作用下， 以 乙基苯 为溶剂， 以>99的产率得到二苄基氯化钛
  参考文献：
  名称：

  苄基钛卤化物（RTiX 2和R 2 TiX）的合成和化学性质

  摘要：

  苄基氯化钛和碘化物是通过三苄基钛与HCl和碘在芳香烃介质中的相互作用制得的。该化合物在低于-30°C的温度下稳定。加热至室温可引起定量歧化成Ti II和Ti IV化合物的等分子混合物。研究了歧化产物的组成。发现少量的二烯或有机铝化合物可以完全抑制歧化过程。研究了有机钛化合物与有机铝化合物的复杂形成。在低温下由TiCl 3和相应的烷基锂直接合成TiR 3化合物。

  DOI：

  10.1016/s0022-328x(00)98594-2
• 作为产物：
  描述：

  tetrabenzyl titanium 在 二氧化碳 、 乙基锂 作用下， 以 甲苯 、 苯 为溶剂， 以93%的产率得到tribenzyl titanium
  参考文献：
  名称：

  苄基钛卤化物（RTiX 2和R 2 TiX）的合成和化学性质

  摘要：

  苄基氯化钛和碘化物是通过三苄基钛与HCl和碘在芳香烃介质中的相互作用制得的。该化合物在低于-30°C的温度下稳定。加热至室温可引起定量歧化成Ti II和Ti IV化合物的等分子混合物。研究了歧化产物的组成。发现少量的二烯或有机铝化合物可以完全抑制歧化过程。研究了有机钛化合物与有机铝化合物的复杂形成。在低温下由TiCl 3和相应的烷基锂直接合成TiR 3化合物。

  DOI：

  10.1016/s0022-328x(00)98594-2

文献信息

• [EN] METAL HYDRAZIDE MATERIALS<br/>[FR] MATIÈRES À BASE D'HYDRAZIDES MÉTALLIQUES
  申请人：UNIV WINDSOR

  公开号：WO2010072002A1

  公开（公告）日：2010-07-01

  The present invention provides the following new polymers which are useful for hydrogen storage: (i) a polymer comprising -[MN2]- as a repeating unit, wherein M is selected from the group consisting Sc, Ti, V, Cr, Mn, Fe, Co, Zr, Nb, Mo, and mixtures thereof; and (ii) a polymer comprising -[M2N3]- as a repeating unit, wherein M is selected from the group consisting Sc, Ti, V, Cr, Mn, Fe, Co, Zr, Nb, Mo, and mixtures thereof.

  本发明提供了以下可用于氢储存的新聚合物：(i) 包含-[MN2]-作为重复单元的聚合物，其中M选自包括Sc、Ti、V、Cr、Mn、Fe、Co、Zr、Nb、Mo和它们的混合物的组；以及(ii) 包含-[M2N3]-作为重复单元的聚合物，其中M选自包括Sc、Ti、V、Cr、Mn、Fe、Co、Zr、Nb、Mo和它们的混合物的组。
• Afinogenova, L. L.; Guzman, I. Sh.; Tinyakova, E. I., Doklady Physical Chemistry, 1980, vol. 252, p. 480 - 482
  作者：Afinogenova, L. L.、Guzman, I. Sh.、Tinyakova, E. I.、Dolgoplosk, B. A.

  DOI：——

  日期：——
• H₂ Storage Materials (22KJ/mol) Using Organometallic Ti Fragments as σ-H₂ Binding Sites
  作者：Ahmad Hamaed、Michel Trudeau、David M. Antonelli

  DOI：10.1021/ja710288g

  日期：2008.6.1

  Low-coordinate Ti (III) fragments with controlled geometries designed specifically for sigma-H-2 binding were grafted onto mesoporous silica using tri- and tetrabenzyl Ti precursors. The hydrogen storage capacity was tested as a function of precursor and precursor loading level. At an optimal loading level of 0.2 mol equiv tetrabenzyl Ti the total storage capacity at -196 degrees C was 21.45 wt % and 34.10 kg/m(3) at 100 atm, and 3.15 wt % and 54.49 kg/m(3) for a compressed pellet under the same conditions. The adsorption value of this material was 1.66 wt %, which equates to an average of 2.7 H-2 per Ti center. The adsorption isotherms did not reach saturation at 60 atm, suggesting that the theoretical maximum of 5 H-2 per Ti in this system may be reached at higher pressures. The binding enthalpies rose with surface coverage to a maximum of 22.15 kJ/mol, which is more than double that of the highest recorded previously and within the range predicted for room temperature performance. The adsorption values of 0.99 at -78 degrees C and 0.69 at 25 degrees C demonstrate retention of 2.4 H-2 and 1.1 H-2 per Ti at these temperatures, respectively. These findings suggest that Kubas binding of H-2 may be exploited at ambient temperature to enhance the storage capacities of high-pressure cylinders currently used in hydrogen test vehicles.
• Optimization of hydrogen storage capacity in silica-supported low valent Ti systems exploiting Kubas binding of hydrogen
  作者：Ahmad Hamaed、Tuan K.A. Hoang、Michel Trudeau、David M. Antonelli

  DOI：10.1016/j.jorganchem.2009.02.034

  日期：2009.8

  Silica-based materials grafted with low valent Ti fragments for Kubas-type binding of hydrogen were optimized for hydrogen adsorption capacity by varying the surface area, pore size, loading levels, and type of organometallic precursor. All materials were characterized by XRD, nitrogen adsorption, and XPS where appropriate. The surface area of HMS silica was optimized by varying silica-to-surfactant molar ratio, and also by tuning the pore size by varying the surfactant's carbon chain length (C-6, C-8, C-10, C-12). Then Ti fragments originating from either benzyl, allyl, or methyl Ti precursors were grafted onto the optimal HMS surface at different loading levels to arrive at Ti grafted HMS materials with H-2 storage capacities and binding properties superior to those previously reported by our group for benzyl Ti (III) species on silica. HMS prepared with dodecylamine using a silica: surfactant ratio of 3:1 and subsequently grafted with 0.2 M equiv. of TiBz(4) had the highest H-2 adsorption at 2.45 wt% at 77 k and 60 atm, which equates to an average of 3.98 H-2 molecule per Ti metal center, just one H-2 molecule short of the theoretical saturation limit of 5 H-2/Ti predicted by the 18-electron rule. The H-2 adsorption capacities of Me3Ti-HMS and Allyl(3)Ti-HMS prepared using the same optimized sample of C-12-HMS silica at a 3: 1 Si: surfactant ratio possessed H-2 adsorption values corresponding to 2.4 and 2.27 H-2 per Ti center, respectively, at 60 atm and 77 K. This performance level is significantly lower than that of the benzyl Ti (III) system. The binding enthalpies of the benzyl Ti (III) material increase with H-2 coverage to 23 kJ/mol, while the enthalpies for the newly synthesized Me3Ti-HMS and Allyl(3)Ti-HMS materials increase with H-2 coverage to a maximum of 2.66 and 4.17 kJ/mol, respectively. XPS studies on these materials suggested a trend in p-back donating ability on the Ti (III) centers of methyl > allyl > benzyl, opposite that observed experimentally. The reason for the diminished performance of the allyl and methyl Ti (III) systems may thus be related to the presence of THF ligands blocking coordination sites in the allyl and methyl systems. THF is not present in the benzyl system because this solvent is not required for synthesis. (C) 2009 Elsevier B.V. All rights reserved.
• Synthesis and chemical properties of benzyltitanium halides (RTiX2 and R2TiX)
  作者：B.A. Dolgoplosk、E.I. Tinyakova、I.Sh. Gusman、L.L. Afinogenova

  DOI：10.1016/s0022-328x(00)98594-2

  日期：1983.3

  Benzyltitanium chlorides and iodides were prepared by interaction of tribenzyltitanium with HCl and iodine in aromatic hydrocarbon media. The compounds are stable at temperatures below −30°C. Heating to room temperature induces quantitative disproportionation into an equimolecular mixture of TiII and TiIV compounds. The composition of the disproportionation products was studied. Small amounts of dienes

  苄基氯化钛和碘化物是通过三苄基钛与HCl和碘在芳香烃介质中的相互作用制得的。该化合物在低于-30°C的温度下稳定。加热至室温可引起定量歧化成Ti II和Ti IV化合物的等分子混合物。研究了歧化产物的组成。发现少量的二烯或有机铝化合物可以完全抑制歧化过程。研究了有机钛化合物与有机铝化合物的复杂形成。在低温下由TiCl 3和相应的烷基锂直接合成TiR 3化合物。