Extended radical cation of diphenyl disulfide and oxidative cyclization on a pentasil zeolite: an EPR study

1998 ◽  
pp. 1119-1122 ◽  
Author(s):  
Prasad S. Lakkaraju ◽  
Dahui Zhou ◽  
Heinz D. Roth
Keyword(s):  
Radical Cation ◽  
Oxidative Cyclization ◽  
Diphenyl Disulfide ◽  
Pentasil Zeolite

Incorporation of 2-Arylhexa-1,5-diene into Pentasil Zeolite:  A Distorted 1-Arylcyclohexane-1,4-diyl Radical Cation at Room Temperature

2005 ◽  
Vol 109 (7) ◽  
pp. 2504-2511 ◽  
Author(s):  
Hiroshi Ikeda ◽  
Tomonori Minegishi ◽  
Tsutomu Miyashi ◽  
Prasad S. Lakkaraju ◽  
Ronald R. Sauers ◽  
...  
Keyword(s):  
Radical Cation ◽  
Room Temperature ◽  
Zeolite A ◽  
Pentasil Zeolite

scholarly journals Metal-Free α-C(sp3)–H Functionalized Oxidative Cyclization of Tertiary N,N-Diaryl Amino Alcohols: Theoretical Approach for Mechanistic Pathway

2017 ◽  
Author(s):  
Zakir Ullah ◽  
Mihyun Kim
Keyword(s):  
Free Energy ◽  
Radical Cation ◽  
Theoretical Approach ◽  
Dft Calculation ◽  
Amino Alcohols ◽  
Oxidative Cyclization ◽  
Solution Phase ◽  
Ionic Mechanism ◽  
Metal Free ◽  
Mechanistic Pathway

The mechanistic pathway of TEMPO/I2-mediated oxidative cyclization of N,N-diaryl amino alcohols 1 is investigated in this study. Based on our direct empirical experiments, three key intermediates (the aminium radical cation 3, the α-aminoalkyl radical 4, and the iminium 5), four kind reactive species (radical TEMPO, cationic TEMPO, TEMPO-I and iodo radical) and three kind pathways (1. SET/PCET mechanism, 2. HAT/1,6-H transfer mechanism, 3. Ionic mechanism) were assumed. Under the assumption, nine free energy diagrams are acquired through DFT calculation. From the comparison of the solution phase free energy, some possibility can be excluded and then the chosen plausible mechanisms are concretized with the more stable intermediate 7.

The electronic properties of a radical cation salt of bis-ethylenedioxodibenzofuran, [(bEDODBF)5 (AsF6)2(CH2Cl 2)0.2]

1988 ◽  
Vol 49 (4) ◽  
pp. 667-673 ◽  
Author(s):  
S. Söderholm ◽  
J. Hellberg ◽  
G. Ahlgren ◽  
M. Krebs ◽  
J.U. von Schütz ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Radical Cation ◽  
Radical Cation Salt
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