使用的试剂去化HFCs
Daniel J Sheldon1, Joseph M Parr1, Mark R Crimmin1
1Department of Chemistry, Molecular Sciences Research Hub, Imperial College London, London, W12 0BZ, UK. m.crimmin@imperial.ac.uk.
碳水化合物 (HFC) 与试剂反应,产生化,并从HFC-134a中选择性地产生二乙烯. 在DFT的计算中,在这种脱过程中探索了C-F与C-H键激活障碍.
科学领域:
- 有机金属化学 有机金属化学
- 化学 的化学
- 计算化学的计算化学
背景情况:
- 碳化合物 (HFC) 广泛使用,但引发了环境问题.
- 具有金属-金属键的主要组试剂具有独特的反应性.
- 了解碳化合物的反应性对于开发新的合成方法和管理它们对环境的影响至关重要.
研究的目的:
- 为了研究HFC与Mg-Mg试剂的反应.
- 阐明除和选择性烯形成的机制.
- 为了比较使用DFT在HFC中的C-F与C-H键的激活障碍.
主要方法:
- 各种HFC与二试剂的实验反应.
- 化复合物的分离和表征.
- 详细的密度函数理论 (DFT) 计算.
主要成果:
- 反应导致脱化,形成化复合物.
- 1,1,1,2-四乙烯 (HFC-134a) 可以选择性地产生1,1-二乙烯.
- DFT计算显示了C-F和C-H债券分拆的特定激活障碍.
结论:
- Mg-Mg试剂有效地去化HFCs.
- 选择性C-F键激活是从HFC-134a中形成二乙烯的关键.
- 计算分析为反应机制和选择性提供了洞察力.
更多相关视频
10:10Application of Elemental Lanthanides in the Selective C-F Activation of Trifluoromethylated Benzofulvenes Providing Access to Various Difluoroalkenes
Published on: July 28, 2018
09:15Light Enhanced Hydrofluoric Acid Passivation: A Sensitive Technique for Detecting Bulk Silicon Defects
Published on: January 4, 2016
相关概念视频
Electrophilic Aromatic Substitution: Fluorination and Iodination of Benzene
Acid Halides to Alcohols: Grignard Reaction
Grignard reagents are a source of carbanions and function as nucleophiles. The mechanism begins with the nucleophilic attack by the carbanion at the carbonyl carbon of the acid halide to form a tetrahedral intermediate. Next, the carbonyl group is re-formed, and the halide ion departs,...
Acid Halides to Ketones: Gilman Reagent
As shown below, the mechanism proceeds in two steps. First, one of the alkyl groups of the reagent acts as a nucleophile and attacks the acyl carbon of the acid chloride to form a tetrahedral intermediate. This is followed by the reformation of the carbon–oxygen...
Multiple Halogenation of Methyl Ketones: Haloform Reaction
Halogens
Base-Promoted α-Halogenation of Aldehydes and Ketones
