pentatitanium trisilicide

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: pentatitanium trisilicide
• 英文别名: titanium silicide；Silane;titanium
• 化学式: Si₃Ti₅
• 分子量: 323.656
• InChiKey: FNGIIBMUWDFOBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.37
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  pentatitanium trisilicide 、 graphite 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Lattice trends in Ti5Si3Zx (Z=B,C,N,O and 0<x<1)

  摘要：

  Several Ti(5)Si(3)Z(x) compositions (Z=boron, carbon, nitrogen and oxygen) were synthesized by are-melting. Powder X-ray diffraction indicates the materials maintain the Mn5Si3-type structure of the binary compound Ti5Si3. Calculated cell constants were correlated to ternary composition based on chemical analysis. Nitrogen and oxygen additions to Ti5Si3 promote a cell volume decrease, while boron additions promote a cell volume increase. Carbon additions cause a decrease in the a-cell constant and an increase in the c-cell constant with a concomitant cell volume increase. Room temperature X-ray single crystal structural analysis was performed on one composition for each ternary addition. Each analyzed composition has the P6(3)/mcm space group (No. 193) with the Mn5Si3-type structure. The ternary addition occupies the normally vacant interstitial site at the center of the trigonal antiprisms of titanium (Ti2) atoms (Ti(6)Z polyhedra), located in chains at the corners of the hexagonal unit cell. Bonding between the interstitial atoms and the titanium (Ti2) atoms in the Ti(6)Z polyhedra is indicated by a decrease in the Ti2-Ti2 and Ti2-Z atomic separations. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0925-8388(99)00533-2
• 作为产物：
  描述：

  以 neat (no solvent) 为溶剂， 生成 pentatitanium trisilicide
  参考文献：
  名称：

  Study on mechanical alloying and subsequent heat treatment of the Ti–Si system

  摘要：

  Elemental powder mixtures of TixSi100-x were mechanically alloyed by using a planetary ball mill. XRD, SEM, TEM and DTA were used to characterize their mechanical alloying process. After milling for 45 h, Ti75Si25, Ti62.5Si37.5 and Ti50Si50 powders were amorphized completely; however, no obvious amorphization was observed for Ti33.3Si66.7 and Ti25Si75 powders. By using Miedema model, a thermodynamics analysis was performed. Annealing the as-milled powders in vacuum at 860 degrees C for 1 h, the as-milled Ti62.5Si37.5 powders transformed into Ti5Si3 intermetallics, and Ti33.3Si66.7 transformed into TiSi2 intermetallics completely. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0921-4526(99)01228-4
• 作为试剂：
  描述：

  草酸 在 pentatitanium trisilicide 作用下， 以 水 为溶剂， 生成 氢气
  参考文献：
  名称：

  Reaction synthesis of TiSi2 and Ti5Si3 by ball-milling and shock loading and their photocatalytic activities

  摘要：

  Shock loading and high energy ball-milling are typical mechanochemical processing methods by which the chemical reaction of different substances can be initiated and the functional materials with particular physical and chemical properties were produced. In this paper, the precursors of Ti-Si powder with different stoichiometric ratios were pre-activated by ball-milling and then loaded by shock wave. The recovered samples were characterized by XRD, SEM, and DSC, and photocatalytic activity of splitting water into hydrogen was evaluated under visible light. The results indicate that shock-induced reaction of Ti-Si is easier after certainly ball-milling treatment in which the Ti5Si3 with high thermodynamic stability was produced in the precursor mixtures of Ti:Si = 1: 2 and the designed Ti5Si3 was also produced in that of Ti:Si = 5:3. The test for photocatalytic activity shows that there has a common sequence of photocatalytic activity of the treated samples with different stoichiometric ratios including the precursor mixtures of Ti:Si = 1:2 and 5:3: (ball-milling + shock loading) > shock loading > ball-milling meaning that the samples treated by both of milling and shock loading exhibit better photocatalytic activity than that of only milling or shock loading due to the greater degree of activation. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jallcom.2012.12.100

文献信息

• New criteria for the applicability of combustion synthesis: The investigation of thermodynamic and kinetic processes for binary Chemical Reactions
  作者：Xiaoming Tan、Xianli Su、Yonggao Yan、Ctirad Uher、Qingjie Zhang、Xinfeng Tang

  DOI：10.1016/j.jallcom.2020.158465

  日期：2021.4

  Combustion synthesis is a novel technique that utilizes the exothermic heat of a chemical reaction to maintain the reaction and to rapidly prepare materials. But, hitherto, none of unified criterion for the validation of combustion synthesis has been proposed. Herein, we proposed the conditions need to be met. In terms of kinetics, at the adiabatic temperature (Tad), the diffusion distance of atoms

  燃烧合成是一种利用化学反应的放热来维持反应并快速制备材料的新技术。但是，迄今为止，尚未提出用于验证燃烧合成的统一标准。在此，我们提出了需要满足的条件。就动力学而言，在绝热温度（T ad）下，原子的扩散距离（升Ť广告）在0.1 s内应大于反应物的粒径（d）， 那是， 升Ť广告≥d。对于满足T ad / T m，L的系统≥1（其中T m，L是反应物的低熔点成分的熔点），液相的存在将原子的扩散距离从纳米显着增加到数十微米，从而成为标准升Ť广告≥d简化为T ad / T m，L≥在大多数情况下为1。在热力学方面，系统需要确保反应成分处于激活状态，即T ad / T m，H ≥0.7，其中T m，H是高熔点组分的熔点。本研究提出的SHS反应标准进一步提高了对SHS反应的理论理解，并为探索二元和多组分化合物的超快合成提供了指导。
• Synthesis of a low-density Ti–Mg–Si alloy
  作者：O.N Senkov、M Cavusoglu、F.H.(Sam) Froes

  DOI：10.1016/s0925-8388(99)00558-7

  日期：2000.2

  titanium and formation of a Ti 5 Si 3 phase. A third reaction in the system was detected at about 1100°C due to formation of MgO, so that after annealing at 1150°C three stable phases, Ti(Si), Ti 5 Si 3 , and MgO, were present in the alloy. No decomposition of the Ti 5 Si 3 phase or formation of Mg 2 Si were detected either during subsequent cooling or a second heating of the alloy. Completely different

  摘要 通过机械合金化和/或热处理，由TiH 2 、Mg和Si的混合元素粉末合成了低密度钛合金。使用氢化钛代替钛。使用 DTA 和 XRD 研究了在以恒定速率加热期间系统中发生的相变。在混合元素粉末的加热过程中，氢化钛在 550-750°C 的温度范围内发生分解，一些硅进入钛中的固溶体，而大部分硅在 500°C 左右与镁发生放热反应，生成金属间相 Mg 2 硅。该相在加热至 950°C 时是稳定的，其中该相的共晶成分开始熔化，导致形成镁在硅中的液体溶液，随后液体硅与钛反应并形成Ti 5 Si 3 相。由于形成 MgO，系统中的第三个反应在 1100°C 左右被检测到，因此在 1150°C 退火后，合金中存在三个稳定相，Ti(Si)、Ti 5 Si 3 和 MgO。在随后的冷却或合金的第二次加热期间，没有检测到 Ti 5 Si 3 相的分解或 Mg 2 Si 的形成。在机械合金化粉末中发生完全
• Reduction of solid silicon monoxide by elemental metals
  作者：Erik Biehl、Ulrich Schubert、Frank Kubel

  DOI：10.1039/b101503f

  日期：——

  Reaction of solid SiO with calcium in various ratios at 900 °C results in the formation of a mixture of CaO, CaSi and Ca5Si3. When the reaction (in a 1 : 3 ratio) is carried out at 750 °C, CaO and Ca3SiO are formed. The structure of the latter compound, which is erroneously described in the literature as “cubic Ca2Si”, was determined from powder diffraction data. In the reaction mixtures of solid SiO with strontium or titanium, SrSi, SrSi2 and Ti5Si3 were identified. Reaction with aluminium did not result in the formation of a silicide, but of elemental silicon instead.

  固体氧化硅与不同比例的钙在 900 ℃ 下反应，会形成氧化钙、硅酸钙和 Ca5Si3 的混合物。如果在 750 °C 下进行反应（比例为 1:3），则会生成 CaO 和 Ca3SiO。后一种化合物在文献中被错误地描述为 "立方 Ca2Si"，其结构是根据粉末衍射数据确定的。在固体氧化硅与锶或钛的反应混合物中，发现了 SrSi、SrSi2 和 Ti5Si3。与铝的反应没有形成硅化物，而是形成了元素硅。
• Formation of titanium silicides Ti5Si3 and TiSi2 by self-propagating combustion synthesis
  作者：C.L. Yeh、W.H. Chen、C.C. Hsu

  DOI：10.1016/j.jallcom.2006.05.131

  日期：2007.4

  Abstract Preparation of titanium silicides Ti 5 Si 3 and TiSi 2 from elemental powder compacts of their corresponding stoichiometries was conducted by self-propagating high-temperature synthesis (SHS) in this study. Effects of the sample green density, preheating temperature, and starting stoichiometry on combustion characteristics, as well as on product composition were studied. Experimental evidence

  摘要 在本研究中，通过自蔓延高温合成 (SHS) 从相应化学计量的元素粉末压块制备硅化钛 Ti 5 Si 3 和 TiSi 2 。研究了样品生坯密度、预热温度和起始化学计量对燃烧特性以及产品组成的影响。实验证据表明，自持燃烧前沿在点火时建立，随后以稳定的方式穿过整个样品。火焰锋通过后，样品中发生的进一步相变导致出现后燃辉光。由于燃烧温度超过了 Ti-Si 二元混合物的最低共晶点 (1330 °C)，从化学计量的粉末压块形成 Ti 5 Si 3 主要由固-液机制控制，包括固体反应物的溶解和硅化物产物的沉淀。此外，在该研究中实现了产生单相硅化物 Ti 5 Si 3 的完全转化。相反，Ti + 2Si 压块内反应元素之间的相互作用受固态机制控制，因为它们的反应温度低于 Ti-Si 共晶点 1330 °C。XRD 分析将二硅化物 TiSi 2 鉴定为 Ti + 2Si 样品最终产品中的主要成分。然而，除了
• An experimental study on Ti5Si3 formation by combustion synthesis in self-propagating mode
  作者：C.L. Yeh、C.C. Hsu

  DOI：10.1016/j.jallcom.2004.11.051

  日期：2005.5

  by self-propagating high-temperature synthesis (SHS) in this study. Effects of sample green density and initial sample temperature on the combustion characteristics, as well as on the composition of final products were studied. The combustion process was preceded by the fast propagation of a self-sustained combustion front, followed by vigorous bulk combustion. The phase transformation was found to

  摘要 在本研究中，通过自蔓延高温合成 (SHS) 从元素粉末压块生产硅化钛 Ti5Si3。研究了样品生坯密度和初始样品温度对燃烧特性以及最终产品组成的影响。燃烧过程之前是自持燃烧前沿的快速传播，然后是剧烈的大量燃烧。发现在燃烧过的样品冷却期间相变继续进行，导致后燃烧阶段，其特征是在缺乏光泽的压块上出现发光。通过增加样品生坯密度或在点火前预热样品来增加燃烧前沿的传播速度。对于在 200 °C 预热的样品，与没有任何预热的那些相比，观察到火焰锋速度显着增加了大约两倍。这是因为燃烧温度不仅高于 Ti-Si 混合物的最低共晶温度 1330 °C，而且超过了 Si 的熔点（1410 °C）。用固体反应物溶解到熔融液体中和从过饱和溶液中沉淀出产物来描述硅化钛的形成。根据 XRD 分析，燃烧产物中的主要成分被确定为 Ti5Si3 相。最终产品中存在 Ti5Si4 中间相是由于燃烧波的快速传播和燃烧样品的快速冷却导致反应时间不足的结果。