DFT studies on the mechanism of palladium catalyzed arylthiolation of unactive arene to diaryl sulfide

RSC Advances ◽  
2016 ◽  
Vol 6 (22) ◽  
pp. 18300-18307 ◽  
Author(s):  
Ya-ping Zhou ◽  
Mei-yan Wang ◽  
Sheng Fang ◽  
Yu Chen ◽  
Jing-yao Liu
Keyword(s):  
Oxidative Addition ◽  
Dft Studies ◽  
Palladium Catalyzed ◽  
Diaryl Sulfide

The cleavage of S–N bond prefers to take place via concerted σ-bond metathesis rather than oxidative addition proposed in experiment.

Thiolate–palladium(iv) or sulfonium–palladate(0)? A theoretical study on the mechanism of palladium-catalyzed C–S bond formation reactions

2017 ◽  
Vol 4 (6) ◽  
pp. 943-950 ◽  
Author(s):  
Dongdong Xu ◽  
Xiaotian Qi ◽  
Meng Duan ◽  
Zhaoyuan Yu ◽  
Lei Zhu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Bond Formation ◽  
Oxidative Addition ◽  
Palladium Catalyzed ◽  
Catalytic Cycles ◽  
Bond Formation Reactions

Thiolate–palladium(iv) intermediates are generated through oxidative addition in our suggested mechanisms, and are the key intermediates in these catalytic cycles.

scholarly journals A denitrogenative palladium-catalyzed cascade for regioselective synthesis of fluorenes

2020 ◽  
Vol 11 (5) ◽  
pp. 1411-1417 ◽  
Author(s):  
Wai Chung Fu ◽  
Fuk Yee Kwong
Keyword(s):  
Oxidative Addition ◽  
Regioselective Synthesis ◽  
Palladium Catalyzed

Hydrazone assists Pd(ii)/(iv) oxidative addition and is the methylene synthon in a palladium-catalyzed, norbornene-mediated regioselective synthesis of fluorenes.

Oxidative Addition of Aryl Halides to Transient Anionic à-Aryl–Palladium(0) Intermediates—Application to Palladium-Catalyzed Reductive Coupling of Aryl Halides

1996 ◽  
Vol 2 (8) ◽  
pp. 957-966 ◽  
Author(s):  
Christian Amatore ◽  
Emmanuelle Carré ◽  
Anny Jutand ◽  
Hideo Tanaka ◽  
Qinghua Ren ◽  
...  
Keyword(s):  
Oxidative Addition ◽  
Aryl Halides ◽  
Reductive Coupling ◽  
Palladium Catalyzed

Oxidative Addition of Propargyl Halides, Chloroacetonitrile, and Ethyl Chloroacetate to a Dimethylplatinum(II) Complex: Kinetic and DFT Studies

2014 ◽  
Vol 33 (7) ◽  
pp. 1689-1699 ◽  
Author(s):  
S. Jafar Hoseini ◽  
Hasan Nasrabadi ◽  
Roghayeh Hashemi Fath ◽  
Zohreh Moradi ◽  
Mehdi Rashidi
Keyword(s):  
Oxidative Addition ◽  
Dft Studies ◽  
Ethyl Chloroacetate

Irradiation-Induced Palladium-Catalyzed Direct C–H Alkylation of Heteroarenes with Tertiary and Secondary Alkyl Bromides

Synthesis ◽  
2018 ◽  
Vol 50 (15) ◽  
pp. 2908-2914 ◽  
Author(s):  
Rui Shang ◽  
Yao Fu ◽  
Guang-Zu Wang
Keyword(s):  
Blue Light ◽  
Palladium Catalyst ◽  
Light Emitting Diodes ◽  
Oxidative Addition ◽  
Phosphine Ligands ◽  
Light Emitting ◽  
Alkyl Radicals ◽  
Alkyl Bromides ◽  
Palladium Catalyzed ◽  
Tertiary Alkyl

A palladium catalyst in combination with two types of phosphine ligands efficiently catalyzes direct C–H alkylation of heteroarenes with secondary and tertiary alkyl bromides under irradiation conditions. Irradiation of blue light-emitting diodes (blue LEDs) effectively excites phosphine-ligated palladium catalyst to facilitate oxidative addition with alkyl bromides, and also excites the alkylpalladium species to enable the generation of alkyl radicals to react with heteroarenes.

Sign in / Sign up

Export Citation Format

Share Document