Theoretical Study on the Substitution Reactions of Silylenoid H2SiLiF with CH4, NH3, H2O, HF, SiH4, PH3, H2S, and HCl

2007 ◽  
Vol 111 (34) ◽  
pp. 8475-8481 ◽  
Author(s):  
Ju Xie ◽  
Dacheng Feng ◽  
Shengyu Feng
Keyword(s):  
Theoretical Study ◽  
Substitution Reactions ◽  
Silylenoid H2silif

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 reaction of silylenoid H2SiLiF with HF

2006 ◽  
Vol 323 (2-3) ◽  
pp. 185-192 ◽  
Author(s):  
Ju Xie ◽  
Dacheng Feng ◽  
Shengyu Feng ◽  
Jie Zhang
Keyword(s):  
Theoretical Study ◽  
Silylenoid H2silif

Theoretical study of solvent effects on the structures and isomerization of silylenoid H2SiLiF

2006 ◽  
Vol 18 (1) ◽  
pp. 65-70 ◽  
Author(s):  
Ju Xie ◽  
Dacheng Feng ◽  
Shengyu Feng ◽  
Yunqiao Ding
Keyword(s):  
Solvent Effects ◽  
Theoretical Study ◽  
Silylenoid H2silif

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
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