titanium(IV) sulfate

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属氧阴离子化合物
• 英文名称: titanium(IV) sulfate
• 英文别名: titanium sulfate；titanic sulfate；titanium(IV) sulphate；titanous sulfate；Titanium(4+);sulfate
• 化学式: 2O₄S*Ti
• 分子量: 240.007
• InChiKey: GNNYZTJMRMKFMQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.34
• 重原子数：
  6
• 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：
  88.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  titanium(IV) sulfate 在 Na₂SO₄ 作用下， 以 水 为溶剂， 生成 四氢化物钛
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ti: MVol., 3.4, page 186 - 189

  摘要：

  DOI：
• 作为产物：
  描述：

  [Ti(IV)(moxifloxacin)2](sulfate)2*7water 以 neat (no solvent) 为溶剂， 生成 titanium(IV) sulfate
  参考文献：
  名称：

  Synthesis, characterization and antimicrobial investigation of some moxifloxacin metal complexes

  摘要：

  The new complexes of moxifloxacin (MOX), with Ti(IV), Y(III), Pd(II) and Ce(IV) have been synthesized. These complexes were then characterized by melting point, magnetic studies and spectroscopic techniques involving infrared spectra (IR), UV-Vis, H-1 NMR. C, H, N and halogen elemental analysis and thermal behavior of complexes also investigated. The results suggested that the molar ratio for all complexes is M: MOX = 1:2 where moxifloxacin acts as a bidentate via one of the oxygen atoms of the carboxylate group and through the ring carbonyl group and the complexes have the following formula [Ti(MOX)(2)](SO4)(2)center dot 7H(2)O, [Y(MOX)(2)Cl-2]Cl center dot 12H(2)O, [Pd(MOX)(2)(H2O)(2)]Cl-2 center dot 6H(2)O and [Ce(MOX)(2)KSO4)(2)center dot 2H(2)O. The activation energies, E*, enthalpies, Delta H*, entropies, Delta S* and Gibbs free energies, Delta G*, of the thermal decomposition reactions have been derived from thermogravimetric (TGA) and differential thermogravimetric (DrTG) curves, using Coats-Redfern (CR) and Horowitz-Metzger (HM) methods. The antimicrobial activity of these complexes has been evaluated against three Gram-positive and three Gram-negative bacteria and compared with the reference drug moxifloxacin. The antibacterial activity of Ti(IV) complex is significant for E. coli K32 and highly significant for S. aureus K1, B. subtilis K22. Br. otitidis K76, P. aeruginosa SW1 and K. oxytoca K42 compared with free moxifloxacin. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.09.010
• 作为试剂：
  描述：

  邻甲氧基苯胺 在 titanium(IV) sulfate 、 硫酸 、 羟胺 作用下， 以 水 为溶剂， 以100%的产率得到2,4-二氨基苯甲醚
  参考文献：
  名称：

  电化学胺化。选择性地将两个氨基引入芳香环

  摘要：

  研究了在硫酸水溶液中通过Ti（IV）-NH 2 OH系统间接进行苯甲醚的阴极胺化。在这些介质中，自由基阳离子取代的主要产物是对-和邻-茴香胺和4-甲氧基-1,3-苯二胺。最有效的电化学过程发生在10–12МH 2 SO 4中。在这些条件下，观察到氨基自由基源的完全转化，并且对应于每羟胺的产率的总电流产率达到60％。

  DOI：

  10.1134/s1070363217010042

文献信息

• Synthesis, Characterization, DFT Modeling and Antimicrobial Studies on the Ti(IV), Y(III) and Ce(IV) Ofloxacin Solid Complexes
  作者：Sadeek A. Sadeek、Wael A. Zordok、Walaa H. El-Shwiniy

  DOI：10.5012/jkcs.2013.57.5.574

  日期：2013.10.20

  A new solid complexes of Ti(IV), Y(III) and Ce(IV) have been synthesized with ofloxacin. The formulae and structure of the complexes have been proposed in the light of analytical, spectral ($^1H$ NMR, IR and UV-Visible), magnetic, molar conductivities and thermal studies. The complexes are soluble in DMSO-$d_6$ and DMF. The measured molar conductance values indicate that, the three complexes are electrolyte in nature. The results support the formation of the complexes and indicated that ofloxacin reacts as a bidentate ligand chelate to the metal ion through the pyridone oxygen and one carboxylato oxygen. The kinetic parameters of thermogravimetric and its differential have been evaluated by using Coats Redfern (CR) and Horowitz-Metzeger (HM) methods. The thermodynamic data reflect the thermal stability for all complexes. The metal- ligand binding of the Ti(IV), Y(III) and Ce(IV) complexes is predicted using density funcational theory at the B3LYP-CEP-31G level of theory and total energy, dipole moment estimation of different Ti(IV), Y(III) and Ce(IV) ofloxacin structures. The biological activities of the ofloxacin, inorganic salts and their metal complexes were assayed against different bacterial species.

  新合成了以氧氟沙星为基础的Ti(IV)、Y(III)和Ce(IV)固态配合物。根据分析、光谱($^1H$ NMR、IR和UV-可见)、磁性、摩尔电导率和热研究结果,提出了配合物的分子式和结构。这些配合物在DMSO-$d_6$和DMF中可溶。测得的摩尔电导率值表明,这三种配合物本质上是电解质。结果支持了这些配合物的生成,并表明氧氟沙星通过吡啶酮氧和一个羧酸氧以双齿配体的形式螯合到金属离子。利用Coats Redfern(CR)和Horowitz-Metzger(HM)方法评估了热重分析及其微分的动力学参数。热力学数据反映了所有配合物的热稳定性。利用B3LYP-CEP-31G水平的密度泛函理论预测了Ti(IV)、Y(III)和Ce(IV)复合物的金属-配体结合作用,以及Ti(IV)、Y(III)和Ce(IV)不同氧氟沙星结构的能量总和及偶极矩。检测了氧氟沙星、无机盐及其金属配合物对不同细菌物种的生物活性。
• One-Step Bulk Synthesis of Stable, Near Unit-Cell Sized Oxide Nanoparticles and Nanoparticle Blends Using KO₂
  作者：Thomas E. Sutto

  DOI：10.1021/ic500252c

  日期：2014.5.5

  Presented here is a novel one-step synthesis of oxide or hydroxide nanoparticles using, for the first time, potassium superoxide (KO2). This work demonstrates that the reaction of KO2 with different salt solutions produces grams of stable, near unit-cell sized nanoparticles. This new synthetic technique is applied to representative elements from across the periodic table to rapidly produce nanometer

  本文首次提出了一种新颖的一步法合成氧化物或氢氧化物纳米粒子的方法，这是首次使用超氧化钾（KO 2）。这项工作证明了KO 2与不同盐溶液的反应产生了几克稳定的，接近晶胞大小的纳米颗粒。这项新的合成技术应用于整个元素周期表中的代表性元素，以快速生成Mg，Al，Y，Ti，Mn，Fe，Co，Ni，Cu，Zn，Sn，Tl，Pb和Pb的纳米级氧化物或氢氧化物铈 该技术还用于生产纳米粒子的混合物，证明了制备复杂材料的能力，例如锂正极材料（LiCoO 2），多铁化合物（BiMnO 3 +δ）的纳米颗粒混合物。），以及超导YBa 2 Cu 3 O7- γ。
• XAFS Study on the Specific Deoxidation Behavior of Iron Titanate Catalyst for the Selective Catalytic Reduction of NO_<i>x</i>with NH₃
  作者：Fudong Liu、Hong He、Lijuan Xie

  DOI：10.1002/cctc.201300565

  日期：2013.12

  The environmentally friendly catalyst iron titanate (FeTiOx) was reported to be very active for the selective catalytic reduction of NOx with NH3 (NH3‐SCR), with high N2 selectivity and H2O/SO2 durability in the medium temperature range, and the specific microstructure of iron titanate crystallites as the active phase was determined. In consideration of the probable existence of a redox cycle between

  所述环境友好的催化剂的铁钛酸盐（FeTiO X）据报道，非常活跃的选择性催化还原的NO X与NH 3（NH 3 -SCR）中，用高氮2选择性和H 2 O / SO 2在培养基中的耐久性确定了温度范围，并确定了钛酸铁微晶作为活性相的比微结构。考虑到NH 3 SCR反应中Fe 3+和Fe 2+物种之间可能存在氧化还原循环，FeTiO x催化剂在H 2中的脱氧行为通过X射线吸收近边缘结构（XANES）和扩展的X射线吸收精细结构（EXAFS）方法，对程序升温还原过程进行了广泛的研究。由于的Fe和Ti的物种之间的电子感应效应的独特共边的Fe存在3+ （O）2 的Ti 4+结构中，Fe的还原性3+物种在FeTiO X催化剂大大提高相比与原始Fe 2 O 3中的相比，导致FeTiO x中Fe物种的氧化能力更高。在H 2程序升温还原过程中，均匀分散的Fe 3+在低于500°C的温度下，钛铁酸盐微晶中的所有物种都可以钛铁矿FeTiO
• The influence of chromium substitution on an iron–titanium catalyst used in the selective catalytic reduction of NO
  作者：Asghar Karami、Vajiheh Salehi

  DOI：10.1016/j.jcat.2012.04.007

  日期：2012.8

  of Cr-substituted Fe–Ti compounds were prepared by the co-precipitation method and were systematically investigated as catalysts for the selective catalytic reduction (SCR) of NO by NH3. A variety of analytical techniques revealed that the Cr substitution amount affects the N2 selectivity, SCR activity, redox behavior of NH3/NOx, adsorption ability, and structure of catalysts in terms of surface properties

  通过共沉淀法制备了一系列Cr取代的Fe-Ti化合物，并对其进行了系统地研究，以作为NH 3对NO进行选择性催化还原（SCR）的催化剂。各种分析技术表明，Cr的取代量会影响N 2的选择性，SCR活性，NH 3 / NO x的氧化还原行为，吸附能力以及催化剂的结构，包括表面性质，孔隙率，晶格氧的迁移率，氧化性。 Cr物种的能力，布朗斯台德酸位与路易斯酸位的比，NO x吸附能力以及结构无序和变形。在一系列Fe a Cr 1− a TiO x中（a  = 1，0.75，0.5，0.2，0）催化剂，Fe 0.5 Cr 0.5 TiO x表现出最高的活性，因为该催化剂中Fe，Cr和Ti物种之间的最佳相互作用。
• A Ti-substituted polyoxometalate as a heterogeneous catalyst for olefin epoxidation with aqueous hydrogen peroxide
  作者：Li Hua、Yunxiang Qiao、Yinyin Yu、Wenwen Zhu、Ting Cao、Yu Shi、Huan Li、Bo Feng、Zhenshan Hou

  DOI：10.1039/c1nj20312f

  日期：——

  as compared with that in the first run. A heterogeneous reaction mechanism has been suggested in olefin epoxidation catalyzed by a Ti-substituted polyoxometalate ([C12mim]5PTiW11O40) with aqueous hydrogen peroxide in ethyl acetate. The heterogeneous POM catalyst can be easily separated and recycled eight times without decreasing the catalytic activities.

  钛取代的多金属氧酸盐（[C 12 mim] 5 PTiW 11 O 40，[CTA] 5 PTiW 11 O 40和[TBA] 5 PTiW 11 O 40制备并通过FT-IR，NMR，UV-vis和ICP-AES进行表征。然后将多金属氧酸盐（POM）用作各种烯烃环氧化的催化剂。发现有机抗衡阳离子对催化性能具有相当大的影响。另外，UV-vis和FT-IR光谱表明即使在反应后仍存在被认为是氧转移活性位点的过氧结构，由于诱导的消失，导致第二轮反应速率增加。与第一轮相比。有人提出在钛取代的多金属氧酸盐（[C 12 mim] 5 PTiW 11 O 40）与水混合的条件下进行烯烃环氧化的非均相反应机理。过氧化氢 在 乙酸乙酯。非均相的POM催化剂可以很容易地分离并循环八次，而不会降低催化活性。