poly(vinylidene fluoride) | 41895-33-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: poly(vinylidene fluoride)
• 英文别名: Difluorovinylidene；Difluorovinylideneradical
• CAS: 41895-33-4
• 化学式: C₂F₂
• 分子量: 62.0188
• InChiKey: VRXWNOAWZSXORL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  4
• 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：
  2

反应信息

• 作为反应物：
  描述：

  poly(vinylidene fluoride) 在 氢气 作用下， 生成 偏氟乙烯
  参考文献：
  名称：

  二氟亚乙烯基插入氢气和甲烷

  摘要：

  已经在 20-40 K 的氩气基质中观察到二氟亚乙烯基 1b 插入 H2、CH 4 和 CD4 的反应。这些反应受捕获物质的扩散控制，而不是由激活势垒控制，表明激活势垒非常小（ < 1 kcal/mol) 或不存在。相反，没有观察到插入到 CF4 或 C2H4 中。对于 C2H4，与双键加成生成（二氟亚甲基）环丙烷 (5) 是唯一的途径。这通过 ab initio (MP2/6-31G(d,p)) 和 DFT (B3LYP/6-311++G- (d,p)) 计算得到合理化，它们预测 H 2 和CH4 插入，但插入 CF4 和 C2H4 分别为 40 和 3 kcal/mol。

  DOI：

  10.1021/ja991003i
• 作为产物：
  描述：

  2-氯-1,1-二氟乙烯 以 gas 为溶剂， 生成 poly(vinylidene fluoride)
  参考文献：
  名称：

  The ultraviolet photodissociation dynamics of 2-chloro-1,1-difluoroethylene

  摘要：

  The rotational state distribution of HCl(v′=0 and 1) produced in the 193 nm photodissociation of the title molecule was measured in a pulsed pump-and-probe experiment. The product state population was found to have a Boltzmann-like distribution, in agreement with a simple phase-space model. The photodissociation mechanism is proposed to be a three-center elimination of HCl to produce the F2C=C: carbene. The barrier for rearrangement of this fragment is believed to be very large, so that any energy released in the eventual isomerization step does not affect the HCl state distribution. These results support our explanation of the nonstatistical state distribution of HCl produced in the photodissociation of vinyl chloride and dichloroethylene.

  DOI：

  10.1063/1.473290

文献信息

• Super-electrophilic carbenes and the concept of Philicity
  作者：Wolfram Sander、Carsten K�tting、Rolf H�bert

  DOI：10.1002/1099-1395(200010)13:10<561::aid-poc239>3.0.co;2-u

  日期：2000.10

  Electron affinities and ionization potentials were calculated for a number of carbenes and compared with the carbene philicity scale mCXY defined by Moss. It is suggested that a two-dimensional rather than a one-dimensional scale is used to classify the carbenes. Examples of extremely electrophilic carbenes with electron affinities above 2 eV are difluorovinylidene with a singlet ground state and 4-oxo-2

  计算了许多卡宾的电子亲和力和电离势，并与 Moss 定义的卡宾亲和量表 mCXY 进行了比较。建议使用二维而不是一维尺度对卡宾进行分类。电子亲和力高于 2 eV 的极亲电子卡宾的例子是具有单重基态的二氟亚乙烯基和具有三重基态的 4-氧代-2,3,5,6-四氟环己基-2,5-二亚乙烯基。讨论了这些卡宾在基质分离条件下对小分子的反应性。版权所有 © 2000 John Wiley & Sons, Ltd.
• Topotactic route for new layered perovskite oxides containing fluorine: Ln1.2Sr1.8Mn2O7F2 (Ln=Pr, Nd, Sm, Eu, and Gd)
  作者：T. Sivakumar、John B. Wiley

  DOI：10.1016/j.materresbull.2008.04.002

  日期：2009.1

  Abstract A series of fluorine intercalated Ruddlesden–Popper layered perovskites, Ln 1.2 Sr 1.8 Mn 2 O 7 F 2 (Ln = La, Pr, Nd, Sm, Eu, and Gd) were synthesized from the parent oxides, Ln 1.2 Sr 1.8 Mn 2 O 7 , with the organic reagent, poly(vinylidene fluoride), as the fluorine source. Oxidative intercalation readily occurred by decomposition of the organic fluoride immediately adjacent to the parents

  摘要 从母体氧化物 Ln 1.2 Sr 1.8 Mn 合成了一系列氟插层 Ruddlesden-Popper 层状钙钛矿 Ln 1.2 Sr 1.8 Mn 2 O 7 F 2 (Ln = La、Pr、Nd、Sm、Eu 和 Gd) 2 O 7 ，以有机试剂聚偏二氟乙烯为氟源。通过与母体紧邻的有机氟化物的分解，很容易发生氧化嵌入。
• Evidence for the Non-Concerted Addition of Difluorovinylidene to Acetylenes
  作者：Carsten Kötting、Wolfram Sander、Michael Senzlober

  DOI：10.1002/(sici)1521-3765(19981102)4:11<2360::aid-chem2360>3.0.co;2-y

  日期：1998.11.2
• Photodissociation dynamics of 1,1-difluoroethylene at 157 nm excitation
  作者：J. J. Lin、S. M. Wu、D. W. Hwang、Y. T. Lee、X. Yang

  DOI：10.1063/1.477780

  日期：1998.12.22

  Photodissociation of 1,1-difluoroethylene (F2CCH2) at 157 nm has been investigated using photofragment translational spectroscopy. Five dissociation channels have been experimentally observed; molecular HF elimination, H atom elimination, molecular hydrogen (H2) elimination, F atom elimination, and double bond breaking. Molecular HF elimination and H atom elimination channels are found to be the two major dissociation pathways in photodissociation of F2CCH2 at 157 nm excitation. Molecular hydrogen (H2) elimination and double bond cleavage are also significant, while F atom elimination is a minor process. Product translational energy distributions for all dissociation channels have also been measured. All translational energy releases are peaked at energies away from zero, indicating that the dissociation of F2CCH2 at 157 nm excitation most likely occurs with exit barriers on the ground electronic potential surface through internal conversion from the initially excited electronic state. Branching ratios and averaged energy partitions for different channels have also been estimated.
• Reactions of Difluorovinylidene—A Super-Electrophilic Carbene
  作者：Wolfram Sander、Carsten Kötting

  DOI：10.1002/(sici)1521-3765(19990104)5:1<24::aid-chem24>3.0.co;2-z

  日期：1999.1.4

  Difluorovinylidene is the only vinylidene that could be isolated in low temperature matrices, so far, Its unusual reactivity is governed by its extreme electrophilicity and electron affinity, Thus, it not only adds CO and N without difficulties, but also inserts into CH4 and even H-2 at temperatures below 40 K. The reaction of F2C=C: with FC=CF clearly reveals that the formation of methylenecyclopropene proceeds in a stepwise reaction, The most striking example for the electrophilicity of F2C=C: is the thermal reaction with Xe to give a charge-transfer complex with a characteristic IR spectrum.