Triplet excited electronic state switching induced by hydrogen bonding: A transient absorption spectroscopy and time-dependent DFT study

2016 ◽  
Vol 144 (11) ◽  
pp. 114301 ◽  
Author(s):  
Venkatraman Ravi Kumar ◽  
Freek Ariese ◽  
Siva Umapathy
Keyword(s):  
Hydrogen Bonding ◽  
Electronic State ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Excited Electronic State ◽  
Time Dependent ◽  
Transient Absorption Spectroscopy ◽  
Dft Study ◽  
State Switching

scholarly journals Mechanistic Investigations of an α-Aminoarylation Photoredox Reaction

2021 ◽  
Author(s):  
Bernard Stevenson ◽  
Ethan Spielvogel ◽  
Emily Loiaconi ◽  
Victor M. Wambua ◽  
Roman Nakhamiyayev ◽  
...  
Keyword(s):  
Quantum Yield ◽  
Absorption Spectroscopy ◽  
Rate Constant ◽  
Kinetic Modeling ◽  
Rate Constants ◽  
Transient Absorption ◽  
Coupling Reaction ◽  
Time Dependent ◽  
Transient Absorption Spectroscopy ◽  
Mechanistic Investigations

We present time-dependent percent and quantum yield measurements of a photoredox-catalyzed coupling reaction between 1,4-dicyanobenzene and N-phenylpyrrolidine. We also use transient absorption spectroscopy to examine the kinetics within the reaction and use kinetic modeling to extract rate constants and predict how changes in rate constant will impact the quantum yield.

scholarly journals Mechanistic Investigations of an α-Aminoarylation Photoredox Reaction

2020 ◽  
Author(s):  
Bernard Stevenson ◽  
Ethan Spielvogel ◽  
Emily Loiaconi ◽  
Victor M. Wambua ◽  
Roman Nakhamiyayev ◽  
...  
Keyword(s):  
Quantum Yield ◽  
Absorption Spectroscopy ◽  
Rate Constant ◽  
Kinetic Modeling ◽  
Rate Constants ◽  
Transient Absorption ◽  
Coupling Reaction ◽  
Time Dependent ◽  
Transient Absorption Spectroscopy ◽  
Mechanistic Investigations

We present time-dependent percent and quantum yield measurements of a photoredox-catalyzed coupling reaction between 1,4-dicyanobenzene and N-phenylpyrrolidine. We also use transient absorption spectroscopy to examine the kinetics within the reaction and use kinetic modeling to extract rate constants and predict how changes in rate constant will impact the quantum yield.

scholarly journals Mechanistic Investigations of an α-Aminoarylation Photoredox Reaction

2020 ◽  
Author(s):  
Bernard Stevenson ◽  
Ethan Spielvogel ◽  
Emily Loiaconi ◽  
Victor M. Wambua ◽  
Roman Nakhamiyayev ◽  
...  
Keyword(s):  
Quantum Yield ◽  
Absorption Spectroscopy ◽  
Rate Constant ◽  
Kinetic Modeling ◽  
Rate Constants ◽  
Transient Absorption ◽  
Coupling Reaction ◽  
Time Dependent ◽  
Transient Absorption Spectroscopy ◽  
Mechanistic Investigations

We present time-dependent percent and quantum yield measurements of a photoredox-catalyzed coupling reaction between 1,4-dicyanobenzene and N-phenylpyrrolidine. We also use transient absorption spectroscopy to examine the kinetics within the reaction and use kinetic modeling to extract rate constants and predict how changes in rate constant will impact the quantum yield.

Hydrogen bonding tunes the early stage of hydrogen-atom abstracting reaction

2014 ◽  
Vol 16 (33) ◽  
pp. 17828-17834 ◽  
Author(s):  
Yang Yang ◽  
Lei Liu ◽  
Junsheng Chen ◽  
Keli Han
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Atom ◽  
Dft Calculations ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Early Stage ◽  
Reaction Dynamics ◽  
Transient Absorption Spectroscopy ◽  
Td Dft

The spontaneous and collision-assisted hydrogen-atom abstracting reaction dynamics of triplet benzil are investigated through a combination of transient absorption spectroscopy with TD-DFT calculations.

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