Lithium;dihydrogen phosphate;hydrate | 58418-80-7

• 英文名称: Lithium;dihydrogen phosphate;hydrate
• CAS: 58418-80-7
• 化学式: H₂O*H₂O₄P*Li
• 分子量: 121.944
• InChiKey: PRDNPBZHTNWUGR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -5.38
• 重原子数：
  7.0
• 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：
  112.09
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Lithium;dihydrogen phosphate;hydrate 、 水 、 zinc(II) carbonate 在 OP-10 作用下， 以 neat (no solvent, solid phase) 为溶剂， 生成 lithium zinc phosphate hydrate
  参考文献：
  名称：

  Sen, Liao; Zhi-Peng, Chen; Xiao-Zhen, Tian, Materials Research Bulletin, 2009, vol. 44, p. 1428 - 1431

  摘要：

  DOI：

文献信息

• Preparation of LiZn0.9PO4:Mn0.1·H2O via a simple and novel method and its non-isothermal kinetics using iso-conversional calculation procedure
  作者：Qian Chai、Zhipeng Chen、Sen Liao、Yu He、Yu Li、Wenwei Wu、Bin Li

  DOI：10.1016/j.tca.2012.01.019

  日期：2012.4

  The LiZn0.9PO4:Mn-0.1 center dot H2O was synthesized via solid-state reaction at room temperature using LiH2PO4 center dot H2O, ZnSO4 center dot 7H(2)O, MnSO4 center dot H2O and Na2CO3 as raw materials.The experimental results show that the synthesized product is orthorhombic LiZn0.9PO4:Mn-0.1 center dot H2O, monoclinic LiZn0.9PO4:Mn-0.1 is a green-yellow emitting phosphor which can be obtained after calcining LiZn0.9PO4:Mn-0.1 center dot H2O at 600 degrees C in air. Based on the iterative iso-conversional procedure, the average values of the activation energies associated with the thermal dehydration of LiZn0.9PO4:Mn-0.1 center dot H2O, was determined to be 90.28 kJ mol(-1). Dehydration of the crystal water molecule of LiZn0.9PO4:Mn-0.1 center dot H2O is single-step reaction mechanism. A method of multiple rate iso-temperature was used to determine the most probable mechanism g(alpha) of the dehydration step. It is Mample single model (g(alpha) = -ln(1 - alpha)) and is controlled by random nucleation and subsequent growth mechanism. The pre-exponential factor A was obtained on the basis of E-a and g(alpha). Besides, the thermodynamic parameters (Delta S-not equal, Delta H-not equal, and Delta G(not equal))) of the dehydration reaction of LiZn0.9PO4:Mn-0.1 center dot H2O were determined. (C) 2012 Elsevier B.V. All rights reserved.