Excited-state proton coupled charge transfer modulated by molecular structure and media polarization

AP Demchenko, KC Tang, PT Chou - Chemical Society Reviews, 2013 - pubs.rsc.org
Charge and proton transfer reactions in the excited states of organic dyes can be coupled in
many different ways. Despite the complementarity of charges, they can occur on different …

Time-dependent density-functional theory: concepts and applications

CA Ullrich - 2011 - books.google.com
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …

Time-dependent density functional theory

MAL Marques, EKU Gross - A Primer in Density Functional Theory, 2003 - Springer
Time-dependent density-functional theory (TDDFT) extends the basic ideas of ground-state
density-functional theory (DFT) to the treatment of excitations and of more general time …

The answer to concerted versus step-wise controversy for the double proton transfer mechanism of 7-azaindole dimer in solution

S Takeuchi, T Tahara - … of the National Academy of Sciences, 2007 - National Acad Sciences
The dynamics and mechanism of the double proton transfer reaction of the 7-azaindole
dimer was investigated in solution by excitation wavelength dependence in steady-state and …

A genuine intramolecular proton relay system undergoing excited-state double proton transfer reaction

KC Tang, CL Chen, HH Chuang, JL Chen… - The Journal of …, 2011 - ACS Publications
7-Hydroxyquinoline-8-carboxylic acid (1), which possesses dual intramolecular hydrogen
bonds, undergoes excited-state intramolecular double proton transfer,(ESIDPT) resulting in …

[HTML][HTML] Excited-state double-proton transfer in a model DNA base pair: resolution for stepwise and concerted mechanism controversy in the 7-azaindole dimer …

H Sekiya, K Sakota - Journal of Photochemistry and Photobiology C …, 2008 - Elsevier
The excited-state double-proton transfer (ESDPT) reaction in the dual hydrogen-bonded 7-
azaindole dimer (7AI2) in a supersonic jet expansion has been extensively studied with …

[HTML][HTML] Stepwise double excited-state proton transfer is not possible in 7-azaindole dimer

R Crespo-Otero, N Kungwan, M Barbatti - Chemical Science, 2015 - pubs.rsc.org
The nature of the excited-state double proton transfer in 7-azaindole (7AI) dimer—whether it
is stepwise or concerted—has been under a fierce debate for two decades. Based on high …

A theoretical study of the potential energy surfaces for the double proton transfer reaction of model DNA base pairs

C Li, Y Yang, D Li, Y Liu - Physical Chemistry Chemical Physics, 2017 - pubs.rsc.org
The excited-state double proton transfer (ESDPT) mechanism in a model DNA base pair, 7-
azaindole (7AI) dimer, has been debated over the years. Recently, Otero and coworkers …

A DFT-based theoretical study on the photophysics of 4-hydroxyacridine: single-water-mediated excited state proton transfer

BK Paul, S Mahanta, RB Singh… - The Journal of Physical …, 2010 - ACS Publications
Study of intra-and intermolecular hydrogen-bonding interaction and excited state proton
transfer reaction has been carried out in 4-hydroxyacridine (4-HA) and its hydrated clusters …

Excited-state double-proton transfer in the 7-azaindole dimer in the gas phase. 3. Reaction mechanism studied by picosecond time-resolved REMPI spectroscopy

K Sakota, C Okabe, N Nishi… - The Journal of Physical …, 2005 - ACS Publications
The excited-state double-proton-transfer (ESDPT) reaction in the jet-cooled 7-azaindole
dimer (7AI2) has been investigated with picosecond time-resolved resonance-enhanced …