Generation, Characterization, and Reactivity of a CuII–Alkylperoxide/Anilino Radical Complex: Insight into the O–O Bond Cleavage Mechanism

2015 ◽  
Vol 137 (34) ◽  
pp. 10870-10873 ◽  
Author(s):  
Sayantan Paria ◽  
Takehiro Ohta ◽  
Yuma Morimoto ◽  
Takashi Ogura ◽  
Hideki Sugimoto ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Radical Complex ◽  
Insight Into

The Crystal Structure ofBacillus cereusPhosphonoacetaldehyde Hydrolase:  Insight into Catalysis of Phosphorus Bond Cleavage and Catalytic Diversification within the HAD Enzyme Superfamily†,‡

Biochemistry ◽  
2000 ◽  
Vol 39 (34) ◽  
pp. 10385-10396 ◽  
Author(s):  
Marc C. Morais ◽  
Wenhai Zhang ◽  
Angela S. Baker ◽  
Guofeng Zhang ◽  
Debra Dunaway-Mariano ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Bond Cleavage ◽  
Enzyme Superfamily ◽  
Insight Into

Au@Pd Bimetallic Nanocatalyst for Carbon–Halogen Bond Cleavage: An Old Story with New Insight into How the Activity of Pd is Influenced by Au

2018 ◽  
Vol 52 (7) ◽  
pp. 4244-4255 ◽  
Author(s):  
Rui Liu ◽  
Hui-min Chen ◽  
Li-ping Fang ◽  
Cuihong Xu ◽  
Zuoliang He ◽  
...  
Keyword(s):  
Halogen Bond ◽  
Bond Cleavage ◽  
Bimetallic Nanocatalyst ◽  
Insight Into

scholarly journals Mechanistic Insight into the Ring-Opening Polymerization of ɛ-Caprolactone and L-Lactide Using Ketiminate-Ligated Aluminum Catalysts

Polymers ◽  
2019 ◽  
Vol 11 (9) ◽  
pp. 1530 ◽  
Author(s):  
Lin ◽  
Jheng
Keyword(s):  
Thermal Effects ◽  
Ring Opening ◽  
Density Functional ◽  
Bond Cleavage ◽  
Ring Opening Polymerization ◽  
Catalyst Design ◽  
Reaction Conditions ◽  
Functional Theory ◽  
Cleavage Step ◽  
Insight Into

The reactivity and the reaction conditions of the ring-opening polymerization of ɛ-caprolactone (ɛ-CL) and L-lactide (LA) initiated by aluminum ketiminate complexes have been shown differently. Herein, we account for the observation by studying the mechanisms on the basis of density functional theory (DFT) calculations. The calculations show that the ring-opening polymerization of ɛ-CL and LA are rate-determined by the benzoxide insertion and the C–O bond cleavage step, respectively. Theoretical computations suggest that the reaction temperature of L–LA polymerization should be higher than that of ɛ-CL one, in agreement with the experimental data. To provide a reasonable interpretation of the experimental results and to give an insight into the catalyst design, the influence of the electronic, steric, and thermal effects on the polymerization behaviors will be also discussed in this study.

DFT Mechanistic Insight into the Dioxygenase-like Reactivity of a CoIII-peroxo Complex: O–O Bond Cleavage via a [1,3]-Sigmatropic Rearrangement-like Mechanism

2020 ◽  
Vol 59 (3) ◽  
pp. 2051-2061
Author(s):  
Ruihua Zhao ◽  
Jiandong Guo ◽  
Chaoshen Zhang ◽  
Yu Lu ◽  
Wasihun Menberu Dagnaw ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Sigmatropic Rearrangement ◽  
Peroxo Complex ◽  
Mechanistic Insight ◽  
Insight Into

DFT Studies Provide Mechanistic Insight into Nickel-Catalyzed Cross-Coupling Involving Organoaluminum-Mediated C–O Bond Cleavage

Synlett ◽  
2017 ◽  
Vol 28 (19) ◽  
pp. 2565-2568 ◽  
Author(s):  
Chao Wang ◽  
Masanobu Uchiyama ◽  
Ze-Kun Yang
Keyword(s):  
Density Functional ◽  
Reaction Pathway ◽  
Bond Cleavage ◽  
Cross Coupling ◽  
Reductive Elimination ◽  
Lewis Acidity ◽  
Functional Theory ◽  
Mechanistic Insight ◽  
Insight Into ◽  
Strong Lewis Acidity

Density functional theory (DFT) calculations were performed to examine the reaction pathway of Ni-catalyzed cross-coupling with organoaluminum through C–O bond cleavage. The results indicate that the strong Lewis acidity of organoaluminums significantly facilitates the transmetalation step, but not the oxidative addition or reductive elimination step.

Nickel-catalyzed reductive defunctionalization of esters and amides to aromatic hydrocarbons

2017 ◽  
Vol 41 (22) ◽  
pp. 13211-13214 ◽  
Author(s):  
Manoj Mondal ◽  
Pankaj Bharali
Keyword(s):  
Aromatic Hydrocarbons ◽  
Bond Activation ◽  
Bond Cleavage ◽  
Reductive Activation ◽  
One Pot ◽  
Activation Pathway ◽  
Isolation And Characterization ◽  
Insight Into

In two recent studies, nickel has been used in the removal of ester and amide groups to afford aromatic hydrocarbons via one-pot reductive activation followed by tandem C–CO bond cleavage–decarbonylation. Isolation and characterization of key intermediates provide insight into this acyl C–O bond activation pathway.

scholarly journals Reaction of arylhydrazines with diaryl ditellurides in the air: Insight into bimolecular homolytic substitution on tellurium via Aryl-Te bond cleavage

2018 ◽  
Vol 29 (5-6) ◽  
pp. e21471 ◽  
Author(s):  
Yuki Yamamoto ◽  
Fumiya Sato ◽  
Shintaro Kodama ◽  
Akihiro Nomoto ◽  
Akiya Ogawa
Keyword(s):  
Bond Cleavage ◽  
Homolytic Substitution ◽  
Insight Into
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