Supramolecular acid/base catalysis via multiple hydrogen bonding interaction

2002 ◽  
pp. 1690-1691 ◽  
Author(s):  
Koji Ohsaki ◽  
Katsuaki Konishi ◽  
Takuzo Aida
Keyword(s):  
Hydrogen Bonding ◽  
Base Catalysis ◽  
Hydrogen Bonding Interaction ◽  
Acid Base ◽  
Bonding Interaction ◽  
Multiple Hydrogen Bonding

Highly efficient CO2 capture by carbonyl-containing ionic liquids through Lewis acid–base and cooperative C–H⋯O hydrogen bonding interaction strengthened by the anion

2014 ◽  
Vol 50 (95) ◽  
pp. 15041-15044 ◽  
Author(s):  
Fang Ding ◽  
Xi He ◽  
Xiaoyan Luo ◽  
Wenjun Lin ◽  
Kaihong Chen ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Lewis Acid ◽  
Co2 Capture ◽  
Significant Enhancement ◽  
Hydrogen Bonding Interaction ◽  
Acid Base ◽  
Highly Efficient ◽  
Bonding Interaction

Carbonyl-containing anion-functionalized ionic liquids exhibit a significant enhancement in CO2 capacity and excellent reversibility.

Acid–Base Formalism Extended to Excited State for O–H···S Hydrogen Bonding Interaction

2016 ◽  
Vol 120 (35) ◽  
pp. 6902-6916 ◽  
Author(s):  
Surjendu Bhattacharyya ◽  
Ved Prakash Roy ◽  
Sanjay Wategaonkar
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Hydrogen Bonding Interaction ◽  
Acid Base ◽  
Bonding Interaction

Radical Enzymes Control the Chemistry of Their Highly Reactive Intermediates Using the Quantum Coulombic Effect

2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Reactive Intermediates ◽  
Hydrogen Bonding Interaction ◽  
Orbital Ordering ◽  
Dynamic Nature ◽  
Radical Intermediate ◽  
Highest Occupied Molecular Orbital ◽  
Bonding Interaction ◽  
Close Proximity

Here, we report an exquisite strategy that the B12 enzymes exploit to manipulate the reactivity of their radical intermediate (Adenosyl radical). Based on the quantum-mechanic calculations, these enzymes utilize a little known long-ranged through space quantum Coulombic effect (QCE). The QCE causes the radical to acquire an electronic structure that contradicts the Aufbau Principle: The singly-occupied molecular orbital (SOMO) is no longer the highest-occupied molecular orbital (HOMO) and the radical is unable to react with neighbouring substrates. The dynamic nature of the enzyme and its structure is expected to be such that the reactivity of the radical is not restored until it is moved into close proximity of the target substrate. We found that the hydrogen bonding interaction between the nearby conserved glutamate residue and the ribose ring of Adenosyl radical plays a crucial role in manipulating the orbital ordering

Radical Enzymes Control the Chemistry of Their Highly Reactive Intermediates Using the Quantum Coulombic Effect

2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Reactive Intermediates ◽  
Hydrogen Bonding Interaction ◽  
Orbital Ordering ◽  
Dynamic Nature ◽  
Radical Intermediate ◽  
Highest Occupied Molecular Orbital ◽  
Bonding Interaction ◽  
Close Proximity

Here, we report an exquisite strategy that the B12 enzymes exploit to manipulate the reactivity of their radical intermediate (Adenosyl radical). Based on the quantum-mechanic calculations, these enzymes utilize a little known long-ranged through space quantum Coulombic effect (QCE). The QCE causes the radical to acquire an electronic structure that contradicts the Aufbau Principle: The singly-occupied molecular orbital (SOMO) is no longer the highest-occupied molecular orbital (HOMO) and the radical is unable to react with neighbouring substrates. The dynamic nature of the enzyme and its structure is expected to be such that the reactivity of the radical is not restored until it is moved into close proximity of the target substrate. We found that the hydrogen bonding interaction between the nearby conserved glutamate residue and the ribose ring of Adenosyl radical plays a crucial role in manipulating the orbital ordering

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