Visualizing and characterizing excited states from time-dependent density functional theory
JM Herbert - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Time-dependent density functional theory (TD-DFT) is the most widely-used electronic
structure method for excited states, due to a favorable combination of low cost and semi …
structure method for excited states, due to a favorable combination of low cost and semi …
Recent progress on the excited-state multiple proton transfer process in organic molecules
WY Yang, CC Yan, XD Wang, LS Liao - Science China Chemistry, 2022 - Springer
In contrast to the widely reported excited-state single proton-transfer, excited-state multiple
proton transfer (ESMPT) containing two or more intra-or inter-molecular proton transfers has …
proton transfer (ESMPT) containing two or more intra-or inter-molecular proton transfers has …
Strong solvatochromic fluorescence from the intramolecular charge-transfer state created by excited-state intramolecular proton transfer
In this work, we report a peculiar positive solvatochromism in the keto emission of the
acceptor-substituted 2-(2 '-hydroxyphenyl) benzoxazoles (HBO), which originates from the …
acceptor-substituted 2-(2 '-hydroxyphenyl) benzoxazoles (HBO), which originates from the …
Organic lasers harnessing excited state intramolecular proton transfer process
CC Yan, XD Wang, LS Liao - Acs Photonics, 2020 - ACS Publications
Excited state intramolecular proton transfer (ESIPT) molecules are considered to be natural
born laser materials because of their intrinsic four-level system. Organic lasers based on …
born laser materials because of their intrinsic four-level system. Organic lasers based on …
Excited state intramolecular proton transfer in amino 2-(2′-hydroxyphenyl) benzazole derivatives: effects of the solvent and the amino group position
FS Rodembusch, FP Leusin, LF Campo… - Journal of luminescence, 2007 - Elsevier
The excited-state intramolecular proton transfer (ESIPT) mechanism in six amino 2-(2′-
hydroxyphenyl) benzazole derivatives were investigated in different solvents by means of …
hydroxyphenyl) benzazole derivatives were investigated in different solvents by means of …
Electron invariants and excited state structural analysis for electronic transitions within CIS, RPA, and TDDFT models
AV Luzanov, OA Zhikol - International Journal of Quantum …, 2010 - Wiley Online Library
We revisit the interpretative scheme (Luzanov et al., Theor Exp Chem 1974, 10, 354) of
singly excited configuration interaction (CIS) model given earlier at semiempirical level …
singly excited configuration interaction (CIS) model given earlier at semiempirical level …
Highly selective turn-on fluorogenic chemosensor for Zn2+ based on chelation enhanced fluorescence
A new fluorescent zinc sensor was constructed based on cyclic and noncyclic Schiff's bases
obtained by the condensation of 4‑(diethylamino) salicylaldehyde and 2‑aminobenzenethio …
obtained by the condensation of 4‑(diethylamino) salicylaldehyde and 2‑aminobenzenethio …
Excited-state intramolecular proton transfer in imide compounds and its application to control the emission colors of highly fluorescent polyimides
J Wakita, S Inoue, N Kawanishi, S Ando - Macromolecules, 2010 - ACS Publications
A new molecular design concept for colorless and multicolor light-emitting polyimides (PIs)
based on excited-state proton transfer is proposed. The ultraviolet− visible optical absorption …
based on excited-state proton transfer is proposed. The ultraviolet− visible optical absorption …
Synthesis and spectroscopic characterisation of new ESIPT fluorescent protein probes
FS Rodembusch, FP Leusin… - Photochemical & …, 2005 - Springer
Three new benzazole isothiocyanate fluorescent dyes, 2-(4′-isothiocyanate-2′-
hydroxyphenyl) benzoxazole, 2-(4′-isothiocyanate-2′-hydroxyphenyl) benzothiazole and …
hydroxyphenyl) benzoxazole, 2-(4′-isothiocyanate-2′-hydroxyphenyl) benzothiazole and …
Synthesis of new ESIPT-fluorescein: photophysics of pH sensitivity and fluorescence
VS Patil, VS Padalkar, KR Phatangare… - The Journal of …, 2012 - ACS Publications
ESIPT-inspired benzimidazolyl substituted fluorescein dyes were synthesized. PH-sensitivity
was determined by the photophysical property measured at a physiological possible pH …
was determined by the photophysical property measured at a physiological possible pH …