scholarly journals Mechanistic Study on the Reaction of pinB-BMes2 with Alkynes Based on Experimental Investigation and DFT Calculations: Gradual Change of Mechanism Depending on the Substituent

2021 ◽  
Author(s):  
Linlin Wu ◽  
Chiemi Kojima ◽  
Ka Ho Lee ◽  
Shogo Morisako ◽  
Zhenyang Lin ◽  
...  
Keyword(s):  
Experimental Investigation ◽  
Transition Metal ◽  
Dft Calculations ◽  
Kinetic Analysis ◽  
Reaction Rate ◽  
Mechanistic Study ◽  
Isomer Ratio ◽  
Gradual Change ◽  
Isomeric Mixture ◽  
Metal Free

Transition-metal free direct and base-catalyzed 1,2-diborations of arylacetylenes using pinB-BMes2 provided syn/anti-isomeric mixture of diborylalkenes. The kinetic analysis showed that the reaction rate and isomer ratio were affected by reaction...

Transition-metal-free polycyclic indoline formation via a free radical pathway: a computational mechanistic study

2020 ◽  
Vol 139 (3) ◽  
Author(s):  
Chenguang Luo ◽  
Lin Lu ◽  
Lin Zhang ◽  
Zuoyin Yang ◽  
Min Pu ◽  
...  
Keyword(s):  
Free Radical ◽  
Transition Metal ◽  
Mechanistic Study ◽  
Metal Free

Transition-Metal-Free Direct Arylation: Synthesis of Halogenated 2-Amino-2′-hydroxy-1,1′-biaryls and Mechanism by DFT Calculations

2013 ◽  
Vol 135 (19) ◽  
pp. 7086-7089 ◽  
Author(s):  
Hongyin Gao ◽  
Daniel H. Ess ◽  
Muhammed Yousufuddin ◽  
László Kürti
Keyword(s):  
Transition Metal ◽  
Dft Calculations ◽  
Direct Arylation ◽  
Metal Free

ChemInform Abstract: Transition-Metal-Free Direct Arylation: Synthesis of Halogenated 2-Amino-2′-hydroxy-1,1′-biaryls and Mechanism by DFT Calculations.

ChemInform ◽  
2013 ◽  
Vol 44 (44) ◽  
pp. no-no
Author(s):  
Hongyin Gao ◽  
Daniel H. Ess ◽  
Muhammed Yousufuddin ◽  
Laszlo Kuerti
Keyword(s):  
Transition Metal ◽  
Dft Calculations ◽  
Direct Arylation ◽  
Metal Free

ChemInform Abstract: Aerobic, Transition-Metal-Free, Direct, and Regiospecific Mono-α-arylation of Ketones: Synthesis and Mechanism by DFT Calculations.

ChemInform ◽  
2014 ◽  
Vol 45 (14) ◽  
pp. no-no
Author(s):  
Qing-Long Xu ◽  
Hongyin Gao ◽  
Muhammed Yousufuddin ◽  
Daniel H. Ess ◽  
Laszlo Kuerti
Keyword(s):  
Transition Metal ◽  
Dft Calculations ◽  
Metal Free

Lactamization of sp2 C–H bonds with CO2 under transition-metal-free and redox-neutral conditions: a computational mechanistic study

2018 ◽  
Vol 5 (14) ◽  
pp. 2189-2201 ◽  
Author(s):  
Weiyi Li ◽  
Caiqin Li ◽  
Yajing Lyu
Keyword(s):  
Transition Metal ◽  
Stage Ii ◽  
Mechanistic Study ◽  
Primary Role ◽  
Metal Free ◽  
Neutral Conditions

Bases play the primary role in Stages (I) and (III). CO2 serves as an atomic oxidant [O] acceptor in Stage (II).

Metal‐Free Reduction of NO over a Fullerene‐like Boron Nitride Nanocluster: A Mechanistic Study by DFT Calculations

2018 ◽  
Vol 3 (4) ◽  
pp. 1168-1175 ◽  
Author(s):  
Mehdi D. Esrafili ◽  
Hadi Abdollahpour ◽  
Nasibeh Saeidi
Keyword(s):  
Boron Nitride ◽  
Dft Calculations ◽  
Mechanistic Study ◽  
Reduction Of No ◽  
Metal Free

Aerobic, Transition-Metal-Free, Direct, and Regiospecific Mono-α-arylation of Ketones: Synthesis and Mechanism by DFT Calculations

2013 ◽  
Vol 135 (38) ◽  
pp. 14048-14051 ◽  
Author(s):  
Qing-Long Xu ◽  
Hongyin Gao ◽  
Muhammed Yousufuddin ◽  
Daniel H. Ess ◽  
László Kürti
Keyword(s):  
Transition Metal ◽  
Dft Calculations ◽  
Metal Free
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