Oxidative Addition Promoted C–C Bond Cleavage in Rh-Mediated Cyclopropenone Activation: A DFT Study

ACS Catalysis ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 10876-10886 ◽  
Author(s):  
Yixin Luo ◽  
Chunhui Shan ◽  
Song Liu ◽  
Tao Zhang ◽  
Lei Zhu ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Oxidative Addition ◽  
Dft Study

BiCl3-Facilitated removal of methoxymethyl-ether/ester derivatives and DFT study of –O–C–O– bond cleavage

2021 ◽  
Vol 45 (16) ◽  
pp. 7109-7116
Author(s):  
Angela Pacherille ◽  
Beza Tuga ◽  
Dhanashree Hallooman ◽  
Isaac Dos Reis ◽  
Mélodie Vermette ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Dft Study ◽  
Ether Ester

An experimental and DFT study of the cleavage of the MOM group mediated by an eco-friendly reagent, bismuth trichloride.

Catalytic Cycle for N–CN Bond Cleavage by Molybdenum Silyl Catalyst: A DFT Study

2013 ◽  
Vol 32 (9) ◽  
pp. 2725-2735 ◽  
Author(s):  
AbdelRahman A. Dahy ◽  
Nobuaki Koga ◽  
Hiroshi Nakazawa
Keyword(s):  
Bond Cleavage ◽  
Catalytic Cycle ◽  
Dft Study

scholarly journals Competitive Te-Te and C-Te bond cleavage in the oxidative addition of diaryl and dialkyl ditellurides to Pt(0) centers

2017 ◽  
Vol 836-837 ◽  
pp. 17-25 ◽  
Author(s):  
Minna M. Karjalainen ◽  
Torben Wiegand ◽  
J. Mikko Rautiainen ◽  
Andreas Wagner ◽  
Helmar Görls ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Oxidative Addition

scholarly journals Controlling Non-Native B12 Reactivity and Catalysis in the Transcription Factor CarH

2021 ◽  
Author(s):  
Xinhang Yang ◽  
Benjamin H. R. Gerroll ◽  
Yuhua Jiang ◽  
Amardeep Kumar ◽  
Yasmine S. Zubi ◽  
...  
Keyword(s):  
Transcription Factor ◽  
Vitamin B12 ◽  
Transcription Regulation ◽  
Bond Cleavage ◽  
Oxidative Addition ◽  
Mechanistic Studies ◽  
Organic Transformations ◽  
Carbon Bond ◽  
Wide Range ◽  
Hydride Elimination

Vitamin B12 derivatives catalyze a wide range of organic transformations, but B12-dependent enzymes are underutilized in biocatalysis relative to other metalloenzymes. In this study, we engineered a variant of the transcription factor CarH, called CarH*, that catalyzes styrene C-H alkylation with improved yield and selectivity relative to B12 itself. While the native function of CarH involves transcription regulation via AdoCbl Co(III)-carbon bond cleavage and β-hydride elimination to generate 4’,5’-didehydroadenosine, CarH*-catalyzed styrene alkylation proceeds via non-native oxidative addition and olefin addition coupled with a native-like β-hydride elimination. Mechanistic studies on this reaction echo findings from earlier studies on AdoCbl homolysis under strong cage conditions to suggest that CarH* can enable non-native radical chemistry with improved selectivity relative to B12 itself. These findings lay the groundwork for the development of B12-dependent enzymes as catalysts for a wide range of non-native transformations.

Facile N≡N Bond Cleavage by Anionic Trimetallic ClustersV3‐xTaxC4– (x = 0‐3): A DFT Study

ChemPhysChem ◽  
2021 ◽  
Author(s):  
Ya-Ya Wang ◽  
Xunlei Ding ◽  
Joseph Israel Gurti ◽  
Yan Chen ◽  
Xue-Qian Huang ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Dft Study

A DFT study of germane activation in ruthenium complexes. σ-coordination versus oxidative addition

2003 ◽  
Vol 27 (9) ◽  
pp. 1385-1391 ◽  
Author(s):  
Ridha Ben Said ◽  
Khansaa Hussein ◽  
Bahoueddine Tangour ◽  
Sylviane Sabo-Etienne ◽  
Jean-Claude Barthelat
Keyword(s):  
Ruthenium Complexes ◽  
Oxidative Addition ◽  
Dft Study

Ligand Size Effect on PdLn Oxidative Addition with Aryl Bromide: A DFT Study

2010 ◽  
Vol 23 (2) ◽  
pp. 175-179 ◽  
Author(s):  
Wen-jing Sun ◽  
Wei Chu ◽  
Liang-jun Yu ◽  
Cheng-fa Jiang
Keyword(s):  
Size Effect ◽  
Oxidative Addition ◽  
Dft Study ◽  
Aryl Bromide
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