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- W2034454414 endingPage "84" @default.
- W2034454414 startingPage "76" @default.
- W2034454414 abstract "Significant intermolecular hydrogen bonding strengthening in the excited state is proposed to facilitate the photoinduced electron transfer process from the electron donating solvents aniline (AN) and N-methylaniline (MAN) to the coumarin dye 337 (C337). Time-dependent density functional theory (TD-DFT) method has been applied to investigate the ground and the two lowest singlet excited states of the hydrogen-bonded C337–AN and C337–MAN compounds, with a view to monitoring their geometries and photochemical properties. The present theoretical study indicates that the PET process which occurs in the lowest singlet excited state S1 after the full relaxation of the hydrogen-bonded complex in the S2 state should be coupled with and facilitated by the significant strengthening of the intermolecular hydrogen bonding." @default.
- W2034454414 created "2016-06-24" @default.
- W2034454414 creator A5023110432 @default.
- W2034454414 creator A5030768344 @default.
- W2034454414 creator A5033261367 @default.
- W2034454414 creator A5079527716 @default.
- W2034454414 date "2012-03-01" @default.
- W2034454414 modified "2023-10-06" @default.
- W2034454414 title "Theoretical study on the excited-state photoinduced electron transfer facilitated by hydrogen bonding strengthening in the C337–AN/MAN complexes" @default.
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- W2034454414 doi "https://doi.org/10.1016/j.comptc.2012.01.026" @default.
- W2034454414 hasPublicationYear "2012" @default.