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.

Femtosecond spectroscopy and TD-DFT calculations of CuCl42− excited states

2014 ◽  
Vol 43 (47) ◽  
pp. 17820-17827 ◽  
Author(s):  
Elena N. Golubeva ◽  
Ekaterina M. Zubanova ◽  
Michail Ya. Melnikov ◽  
Fedor E. Gostev ◽  
Ivan V. Shelaev ◽  
...  
Keyword(s):  
Steady State ◽  
Dft Calculations ◽  
Excited States ◽  
Transient Absorption ◽  
Femtosecond Spectroscopy ◽  
Transient Absorption Spectroscopy ◽  
Femtosecond Transient Absorption ◽  
Td Dft ◽  
Femtosecond Transient Absorption Spectroscopy ◽  
Photoinduced Processes

Photoinduced processes of tetrahexylammonium tetrachlorocuprate [(C6H13)4N]2CuIICl4 in chloro-organic solvents were investigated by steady state photolysis and femtosecond transient absorption spectroscopy, as well as TD-DFT calculations of excited terms.

Experimental and theoretical studies on fluvastatin primary photoproduct formation

2017 ◽  
Vol 19 (33) ◽  
pp. 21946-21954 ◽  
Author(s):  
Dorota Jarmużek ◽  
Tomasz Pedzinski ◽  
Marcin Hoffmann ◽  
Tomasz Siodła ◽  
Kinga Salus ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Transient Absorption Spectroscopy ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

On the basis of transient absorption spectroscopy and DFT calculations, mechanisms of fluvastatin primary photoproduct (FP1 and FP2) formation were proposed.

scholarly journals Individual control of singlet lifetime and triplet yield in halogen-substituted coumarin derivatives

RSC Advances ◽  
2020 ◽  
Vol 10 (45) ◽  
pp. 27096-27102
Author(s):  
Katrin E. Oberhofer ◽  
Mikayel Musheghyan ◽  
Sebastian Wegscheider ◽  
Martin Wörle ◽  
Eleonora D. Iglev ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Photophysical Properties ◽  
Transient Absorption Spectroscopy ◽  
Coumarin Derivatives ◽  
Individual Control

The photophysical properties of three 3-diethylphosphonocoumarin derivatives are studied by transient absorption spectroscopy and DFT calculations.

scholarly journals Characterizing the Solvated Structure of Photoexcited [Os(terpy)2]2+ with X-ray Transient Absorption Spectroscopy and DFT Calculations

Molecules ◽  
2016 ◽  
Vol 21 (2) ◽  
pp. 235 ◽  
Author(s):  
Xiaoyi Zhang ◽  
Mátyás Pápai ◽  
Klaus Møller ◽  
Jianxin Zhang ◽  
Sophie Canton
Keyword(s):  
Dft Calculations ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Transient Absorption Spectroscopy ◽  
X Ray

Charge-Transfer Dynamics at Ag/Ni-MOF/Cu2O heterostructure in Photoelectrochemical NH3 production

2021 ◽  
Author(s):  
Ying Liu ◽  
Jianmin Lu ◽  
Qianxiao Zhang ◽  
Yajie Bai ◽  
Xuliang Pang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Transient Absorption Spectroscopy ◽  
Yield Rate ◽  
Ultrafast Transient Absorption ◽  
Charge Transfer Dynamics ◽  
Ultrafast Transient Absorption Spectroscopy

Decoration of Ag-ultrathin Ni-MOF onside Cu2O was firstly fabricated. The charge-transfer dynamics at heterostructure was in-depth revealed by ultrafast transient absorption spectroscopy. NH3 yield rate (4.63 μg h-1 cm-2) with...

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