Quantum-Mechanical/Molecular-Mechanical Studies of CYP11A1-Catalyzed Biosynthesis of Pregnenolone from Cholesterol Reveal a C–C Bond Cleavage Reaction That Occurs by a Compound I-Mediated Electron Transfer

2019 ◽  
Vol 141 (51) ◽  
pp. 20079-20088 ◽  
Author(s):  
Hao Su ◽  
Binju Wang ◽  
Sason Shaik
Keyword(s):  
Electron Transfer ◽  
Bond Cleavage ◽  
Quantum Mechanical ◽  
Compound I ◽  
Cleavage Reaction ◽  
Bond Cleavage Reaction ◽  
Mediated Electron Transfer ◽  
Mechanical Studies

A Novel, Efficient, and Highly Selective O-Bn Bond Cleavage Reaction via a Rare K-Induced Electron Transfer Process

Synlett ◽  
2002 ◽  
Vol 2002 (9) ◽  
pp. 1505-1507 ◽  
Author(s):  
Yong Qiang Tu ◽  
Lei Shi ◽  
Wu Jiong Xia ◽  
Fu Min Zhang
Keyword(s):  
Electron Transfer ◽  
Transfer Process ◽  
Bond Cleavage ◽  
Cleavage Reaction ◽  
Electron Transfer Process ◽  
Bond Cleavage Reaction

Nitro–Nitrite Isomerization and Transition State Switching in the Dissociation of Ionized Nitromethane: A Threshold Photoelectron–Photoion Coincidence Spectroscopy Study

2009 ◽  
Vol 15 (2) ◽  
pp. 157-166 ◽  
Author(s):  
Brandon Ferrier ◽  
Anne-Marie Boulanger ◽  
David M.P. Holland ◽  
David A. Shaw ◽  
Paul M. Mayer
Keyword(s):  
Transition State ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Bond Cleavage ◽  
Cleavage Reaction ◽  
Nitrite Ion ◽  
Methyl Nitrite ◽  
Bond Cleavage Reaction ◽  
Entropy Of Activation ◽  
Lower Entropy

Threshold photoelectron–photoion coincidence (TPEPICO) spectroscopy has been employed to investigate the competition between bond cleavage and rearrangement reactions in the dissociation of ionized nitromethane, 1. Modeling TPEPICO breakdown diagrams with a combination of RRKM theory and ab initio calculations at the G3 level of theory allowed the derivation of the activation energy for the isomerisation of 1 to ionized methyl nitrite, 2, 82 kJ mol−1. In addition, evidence was found for a transition state switch in the bond cleavage reaction in 1 leading to CH3• + NO2+. As internal energy increases, the effective transition state for this reaction becomes tighter (i.e. is characterized by a lower entropy of activation, Δ‡S). Fitted thresholds for NO+ and CH2OHO+ ions, originating from the isomeric methyl nitrite ion, are consistent with G3 level ab initio calculations.

Biosynthesis of C11 and C16 homoterpenes in higher plants; stereochemistry of the CC-bond cleavage reaction

Tetrahedron ◽  
1998 ◽  
Vol 54 (49) ◽  
pp. 14725-14736 ◽  
Author(s):  
Wilhelm Boland ◽  
Andreas Gäbler ◽  
Matthias Gilbert ◽  
Zhuofu Feng
Keyword(s):  
Higher Plants ◽  
Bond Cleavage ◽  
Cleavage Reaction ◽  
Bond Cleavage Reaction

A novel CC bond cleavage reaction of 2, 2′-pyridil in solution

2010 ◽  
Vol 19 (11) ◽  
pp. 1116-1118
Author(s):  
Rui Ren ◽  
Pin Yang ◽  
Xiang-Lin Jin
Keyword(s):  
Bond Cleavage ◽  
Cleavage Reaction ◽  
Bond Cleavage Reaction

scholarly journals Theoretical Study of the Ti–Cl Bond Cleavage Reaction in TiCl4

2017 ◽  
Vol 231 (9) ◽  
Author(s):  
Daniel Nurkowski ◽  
Ahren W. Jasper ◽  
Jethro Akroyd ◽  
Markus Kraft
Keyword(s):  
Theoretical Study ◽  
Bond Cleavage ◽  
Cleavage Reaction ◽  
Bond Cleavage Reaction ◽  
Kinetics Of

AbstractIn this work the kinetics of the TiCl

ChemInform Abstract: Zinc-Acetic Acid Promoted Reductive Carbon-Nitrogen Bond Cleavage Reaction of α-Aminoketones.

ChemInform ◽  
2014 ◽  
Vol 45 (24) ◽  
pp. no-no
Author(s):  
Hideaki Fujii ◽  
Kyoko Ishikawa ◽  
Miyuki Tomatsu ◽  
Hiroshi Nagase
Keyword(s):  
Acetic Acid ◽  
Bond Cleavage ◽  
Cleavage Reaction ◽  
Bond Cleavage Reaction ◽  
Nitrogen Bond

Silver Nitrate Mediated Cyclization/N–N Bond-Cleavage Reaction for the Synthesis of 3-Arylisoquinolines

Synlett ◽  
2016 ◽  
Vol 27 (18) ◽  
pp. 2597-2600 ◽  
Author(s):  
Yun-Hui Zhao ◽  
Yubo Li ◽  
Mingjian Luo ◽  
Zilong Tang ◽  
Keqin Deng
Keyword(s):  
Silver Nitrate ◽  
Bond Cleavage ◽  
Cleavage Reaction ◽  
Bond Cleavage Reaction
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