Application of the methylenology principle to substitution reactions. A theoretical study

1997 ◽  
pp. 2691-2698 ◽  
Author(s):  
Hendrik Zipse
Keyword(s):  
Theoretical Study ◽  
Substitution Reactions

Mechanism of nucleophilic substitution reactions of 4-(4ˊ-nitro)phenylnitrobenzofurazan ether with aniline in acetonitrile.

2017 ◽  
Vol 2 (10) ◽  
Author(s):  
K. Gbayo ◽  
C. Isanbor ◽  
K. Lobb ◽  
O. Oloba-Whenu
Keyword(s):  
Density Functional Theory ◽  
Nuclear Magnetic Resonance ◽  
Density Functional ◽  
Theoretical Study ◽  
Activation Parameters ◽  
Nucleophilic Aromatic Substitution ◽  
Aromatic Substitution ◽  
Substitution Reactions ◽  
Functional Theory ◽  
Nmr Techniques

Abstract Rate constants and activation parameters obtained for the nucleophilic aromatic substitution reactions (SNAr) of 4-substitutedphenoxy-7-nitrobenzoxadiazole (1) with aniline in acetonitrile at varying temperature using Nuclear Magnetic Resonance (NMR) techniques were reported. These results were compared with the theoretical study which identifies transformations and intermediates using Density Functional Theory (DFT).

Theoretical study on the substitution reactions of fluorosilylenoid H2SiLiF with SiH3XH n−1 (X = F, Cl, Br, O, N; n = 1, 1, 1, 2, 3)

2014 ◽  
Vol 25 (4) ◽  
pp. 1147-1152 ◽  
Author(s):  
Yuhua Qi ◽  
Chongjuan Xu ◽  
Jing Ma ◽  
Bing Geng ◽  
Maoxia He
Keyword(s):  
Theoretical Study ◽  
Substitution Reactions

Nucleofugality hierarchy, in the aminolysis reaction of 4-cyanophenyl 4-nitrophenyl carbonate and thionocarbonate. Experimental and theoretical study

2021 ◽  
Author(s):  
Rodrigo Montecinos ◽  
M. Aliaga ◽  
Paulina Pavez ◽  
Patricio Cornejo ◽  
Jose G Santos
Keyword(s):  
Nucleophilic Substitution ◽  
Theoretical Study ◽  
Substitution Reactions ◽  
Nucleophilic Substitution Reactions ◽  
Group Effects

Nucleophilic substitution reactions of title compounds have been investigated with a series of secondary alicyclic amines in several solvents. The solvent, amine, and electrophilic group effects on kinetics, mechanism and...

Substitution reactions of H2GeFBeF with RH (R = F, OH, NH2): A theoretical study

2014 ◽  
Vol 88 (7) ◽  
pp. 1097-1102 ◽  
Author(s):  
Cui-Ping Xiao ◽  
Wen-Zuo Li ◽  
Qing-Zhong Li ◽  
Jian-Bo Cheng
Keyword(s):  
Theoretical Study ◽  
Substitution Reactions
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