scholarly journals Role of solute-solvent hydrogen bonds on the ground state and the excited state proton transfer in 3-hydroxyflavone. A systematic spectrophotometric study

2018 ◽  
Vol 17 (7) ◽  
pp. 923-933 ◽  
Author(s):  
Simone Lazzaroni ◽  
Daniele Dondi ◽  
Alberto Mezzetti ◽  
Stefano Protti
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Spectroscopic Study ◽  
Ground State ◽  
Spectrophotometric Study ◽  
New Model ◽  
Excited State Proton Transfer ◽  
Organic Solutions

Systematic spectroscopic study in organic solutions provides a new model for solvent-induced 3-hydroxyflavone deprotonation and solvent modulation of its photophysics.

scholarly journals Correction: Role of solute-solvent hydrogen bonds on the ground state and the excited state proton transfer in 3-hydroxyflavone. A systematic spectrophotometric study

2020 ◽  
Vol 19 (6) ◽  
pp. 858-859
Author(s):  
Simone Lazzaroni ◽  
Daniele Dondi ◽  
Alberto Mezzetti ◽  
Stefano Protti
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Ground State ◽  
Spectrophotometric Study ◽  
Excited State Proton Transfer

Correction for ‘Role of solute-solvent hydrogen bonds on the ground state and the excited state proton transfer in 3-hydroxyflavone. A systematic spectrophotometric study’ by Simone Lazzaroni et al., Photochem. Photobiol. Sci., 2018, 17, 923–933, DOI: 10.1039/C8PP00053K.

scholarly journals Role of intramolecular hydrogen bonding in the excited-state intramolecular double proton transfer (ESIDPT) of calix[4]arene: A TDDFT study

Open Physics ◽  
2016 ◽  
Vol 14 (1) ◽  
pp. 602-609 ◽  
Author(s):  
Se Wang ◽  
Zhuang Wang ◽  
Ce Hao
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Ground State ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonds ◽  
Double Proton Transfer ◽  
Intramolecular Hydrogen

AbstractThe time-dependent density functional theory (TDDFT) method was performed to investigate the excited-state intramolecular double proton transfer (ESIDPT) reaction of calix[4]arene (C4A) and the role of the intramolecular hydrogen bonds in the ESIDPT process. The geometries of C4A in the ground state and excited states (S1, S2 and T1) were optimized. Four intramolecular hydrogen bonds formed in the C4A are strengthened or weakened in the S2 and T1 states compared to those in the ground state. Interestingly, upon excitation to the S1 state of C4A, two protons H1 and H2 transfer along the two intramolecular hydrogen bonds O1-H1···O2 and O2-H2···O3, while the other two protons do not transfer. The ESIDPT reaction breaks the primary symmetry of C4A in the ground state. The potential energy curves of proton transfer demonstrate that the ESIDPT process follows the stepwise mechanism but not the concerted mechanism. Findings indicate that intramolecular hydrogen bonding is critical to the ESIDPT reactions in intramolecular hydrogen-bonded systems.

scholarly journals Revealing the role of excited state proton transfer (ESPT) in excited state hydrogen transfer (ESHT): systematic study in phenol–(NH3)n clusters

2021 ◽  
Author(s):  
Christophe Jouvet ◽  
Mitsuhiko Miyazaki ◽  
Masaaki Fujii
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Systematic Study ◽  
General Model ◽  
Hydrogen Transfer ◽  
Excited State Proton Transfer

A general model of excited state hydrogen transfer (ESHT) which unifies ESHT and the excited state proton transfer (ESPT) is presented from experimental and theoretical works on phenol–(NH3)n. The hidden role of ESPT is revealed.

Role of Solvent in Excited-State Proton Transfer in Hypericin

1994 ◽  
Vol 98 (34) ◽  
pp. 8352-8358 ◽  
Author(s):  
F. Gai ◽  
M. J. Fehr ◽  
J. W. Petrich
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Excited State Proton Transfer ◽  
Role Of Solvent

scholarly journals Publisher’s Note: Hydrogen Bonds in Excited State Proton Transfer [Phys. Rev. Lett. 117 , 163002 (2016)]

2017 ◽  
Vol 118 (13) ◽  
Author(s):  
D. A. Horke ◽  
H. M. Watts ◽  
A. D. Smith ◽  
E. Jager ◽  
E. Springate ◽  
...  
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Excited State Proton Transfer

The role of the anionic potential in excited-state proton transfer in lumichrome picosecond spectroscopy

1988 ◽  
Vol 151 (4-5) ◽  
pp. 375-378 ◽  
Author(s):  
Jean M. Macinnis ◽  
Michael Kasha
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Picosecond Spectroscopy ◽  
Excited State Proton Transfer

scholarly journals Hydrogen Bonds in Excited State Proton Transfer

2016 ◽  
Vol 117 (16) ◽  
Author(s):  
D. A. Horke ◽  
H. M. Watts ◽  
A. D. Smith ◽  
E. Jager ◽  
E. Springate ◽  
...  
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Excited State Proton Transfer

Role of Solvation Dynamics in Excited State Proton Transfer of 1-Naphthol in Nanoscopic Water Clusters Formed in a Hydrophobic Solvent

2012 ◽  
Vol 88 (4) ◽  
pp. 851-859 ◽  
Author(s):  
Surajit Rakshit ◽  
Ranajay Saha ◽  
Pramod Kumar Verma ◽  
Samir Kumar Pal
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Water Clusters ◽  
Solvation Dynamics ◽  
Excited State Proton Transfer ◽  
Hydrophobic Solvent
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