Inserting –CHCH– into P(VDF-TrFE) by C–F activation mediated with Cu(0) in a controlled atom transfer radical elimination process

2017 ◽  
Vol 8 (11) ◽  
pp. 1840-1849 ◽  
Author(s):  
Yanan Zhang ◽  
Yifei Zhao ◽  
Shaobo Tan ◽  
Zhicheng Zhang
Keyword(s):  
Electron Transfer ◽  
Vinylidene Fluoride ◽  
Single Electron ◽  
Atom Transfer ◽  
Single Electron Transfer ◽  
Elimination Process ◽  
Poly Vinylidene Fluoride

A controlled single electron transfer radical elimination (SET-RE) reaction has been successfully developed to introduce CHCH bonds into poly(vinylidene fluoride-trifluoroethylene) (P(VDF-TrFE)).

scholarly journals Regio- and chemoselective Csp3–H arylation of benzylamines by single electron transfer/hydrogen atom transfer synergistic catalysis

2018 ◽  
Vol 9 (44) ◽  
pp. 8453-8460 ◽  
Author(s):  
Takafumi Ide ◽  
Joshua P. Barham ◽  
Masashi Fujita ◽  
Yuji Kawato ◽  
Hiromichi Egami ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Hydrogen Atom ◽  
Hydrogen Atom Transfer ◽  
Single Electron ◽  
Atom Transfer ◽  
Single Electron Transfer ◽  
Synergistic Catalysis

Catalyst controlled regio-, and chemo-selective C-H arylation of benzylamines.

scholarly journals Cytochrome P450-catalyzed dealkylation of atrazine byRhodococcussp. strain NI86/21 involves hydrogen atom transfer rather than single electron transfer

2014 ◽  
Vol 43 (32) ◽  
pp. 12175-12186 ◽  
Author(s):  
Armin H. Meyer ◽  
Agnieszka Dybala-Defratyka ◽  
Peter J. Alaimo ◽  
Inacrist Geronimo ◽  
Ariana D. Sanchez ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Cytochrome P450 ◽  
Hydrogen Atom ◽  
Isotope Effects ◽  
Hydrogen Atom Transfer ◽  
Single Electron ◽  
Atom Transfer ◽  
Single Electron Transfer ◽  
Position Specificity

Isotope effects and position-specificity of hydroxylation pinpoint hydrogen atom transfer (HAT) as prevailing mechanism in P450 catalyzed N-dealkylation of atrazine.

Nature of transients produced on hydrogen atom transfer from capsaicin

2018 ◽  
Vol 17 (05) ◽  
pp. 1850036
Author(s):  
Ravi Joshi
Keyword(s):  
Electron Transfer ◽  
Hydrogen Atom ◽  
Dissociation Energy ◽  
Density Functional ◽  
Hydrogen Atom Transfer ◽  
Single Electron ◽  
Basis Set ◽  
Atom Transfer ◽  
Field Calculation ◽  
Single Electron Transfer

Structure and energies of capsaicin and its probable transients formed in oxidation processes (single electron transfer and hydrogen atom transfer) have been investigated using theoretical calculations. Molecular geometries and energies of truncated and complete capsaicin structures have been optimized using density functional theory (DFT) with Becke three-parameter Lee-Yang-Parr (B3LYP) functional and 6–31[Formula: see text]G(d) basis set. The stable geometries have been confirmed by vibrational analysis. The calculations suggest that single-electron transfer takes place at phenolic O-atom in the first step followed by delocalization of positive charge over the whole molecule. Further, the first step of hydrogen atom abstraction should take place at phenolic group due to lowest dissociation energy but post-optimization bond dissociation energy is least for benzylic group in the side chain as compared to other transients. Effect of water as a solvent on the energies has also been studied using self-consistent reaction field calculation. Similar results are obtained for truncated and complete capsaicin structures. The present study also includes Mulliken spin, charge, vibrational frequencies and assignments of frequencies of the transients. The present study provides explanation for the observation of phenoxyl radical in fast kinetic studies using pulse radiolysis study and, formation of breakdown and dimeric products in other studies.

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