Nanoparticle and Surfactant Controlled Switching between Proton Transfer and Charge Transfer Reaction Coordinates

2021 ◽  
Author(s):  
Minati Das ◽  
Mongoli Brahma ◽  
Sophy A Shimray ◽  
Francis A S Chipem ◽  
G. Krishnamoorthy
Keyword(s):  
Charge Transfer ◽  
Proton Transfer ◽  
Silver Nanoparticle ◽  
Transfer Reaction ◽  
Charge Transfer Reaction ◽  
Reaction Coordinates ◽  
Controlled Switching

The reaction coordinates of a molecular photo-switch 2-(4′-diethylamino-2′-hydroxyphenyl)-1H-imidazo-[4,5-b]pyridine (DHP) was tuned with nanoparticle and surfactant. DHP undergoes ESIPT and emits normal and tautomer emissions in N,N-dimethylformamide. Silver nanoparticle supresses the...

Investigation of excited-state intramolecular proton transfer coupled charge transfer reaction of paeonol

2014 ◽  
Vol 92 (4) ◽  
pp. 274-278 ◽  
Author(s):  
Shanshan Hu ◽  
Kun Liu ◽  
Yuanzuo Li ◽  
Qianqian Ding ◽  
Wei Peng ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Charge Transfer ◽  
Proton Transfer ◽  
Density Functional ◽  
Transfer Reaction ◽  
Intramolecular Proton Transfer ◽  
Ethanol Solution ◽  
Charge Transfer Reaction ◽  
Functional Theory

An excited-state intramolecular proton transfer (ESIPT) coupled charge transfer reaction of paeonol was investigated both experimentally and theoretically. The ESIPT reaction of paeonol was predicted based on the large Stokes shift, which is observed in steady-state absorption and fluorescence spectra in an ethanol solution. The steady-state spectra in some solutions, such as methanol, ethanol, propanol, dichloromethane, and n-hexane, illustrate that the ESIPT reaction of paeonol has no dependence on the solvent properties. Therefore, the excited-state intermolecular proton transfer cannot be generated in protic solvents. Using the density functional theory and time-dependent density functional theory methods, we make a subsequent theoretical calculation that indicates that the ESIPT reaction of paeonol occurs through the intramolecular hydrogen bond O−H···O=C. The excited-state potential energy curve of paeonol indicates that the ESIPT reaction is a barrierless process, and the fluorescence emission of paeonol at 493 nm in the ethanol solution was assigned to the keto isomer fluorescence. Additionally, we also found an intramolecular charge transfer in the excited state by analysing the frontier molecular orbitals of paeonol.

Nascent rovibrational distribution of NO+(A 1Π) produced from charge-transfer reaction of He2+ with NO at thermal energy

1999 ◽  
Vol 110 (18) ◽  
pp. 9064-9070 ◽  
Author(s):  
Masaharu Tsuji ◽  
Yukio Nishimura ◽  
Hiroaki Ishimi ◽  
Masahiro Hisano ◽  
Hidefumi Oota
Keyword(s):  
Charge Transfer ◽  
Thermal Energy ◽  
Transfer Reaction ◽  
Charge Transfer Reaction
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