Golden rule study of excited-state proton transfer in 2-(2-hydroxyphenyl)benzoxazole and 2-(2-hydroxy-4-methylphenyl)benzoxazole (original) (raw)
Comparative theoretical study of intramolecular proton transfer in the photochemical cycles of 2-(2′-hydroxyphenyl)benzoxazole and 5,8-dimethyl-1-tetralone
Venelin Enchev
Journal of Photochemistry and Photobiology A: Chemistry, 1994
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Excited State Intramolecular Proton Transfer Reactions in 2-(2-Hydroxyphenyl)benzimidazole in Micellar Solutions
Cheng-Hsuan Lai
Bulletin of the Chemical Society of Japan, 1997
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Excited state intramolecular proton transfer in 2-acetylindan-1,3-dione
Venelin Enchev
Chemical Physics Letters, 1999
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Excited state intramolecular proton transfer in amino 2-(2'-hydroxyphenyl) benzazole derivatives: Effects of the solvent and the amino group position
Jimena S. Zugazagoitia
Journal of luminescence, 2007
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Intramolecular Proton or Hydrogen-Atom Transfer in the Ground and Excited States of 2-Hydroxybenzoyl Compounds
Javier Catalán
The Journal of Physical Chemistry A, 1997
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Conformational effects in excited-state intramolecular proton transfer in N-substituted 2-(2-aminophenyl)-4H-3,1-benzoxazin-4-ones
Danuta Rasala
High Energy Chemistry, 2010
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Theoretical Modelling for the Ground State Rotamerisation and Excited State Intramolecular Proton Transfer of 2-(2’-hydroxyphenyl)oxazole, 2-(2’-hydroxyphenyl)imidazole, 2-(2’-hydroxyphenyl)thiazole and Their Benzo Analogues
Pradipta Purkayastha
International Journal of Molecular Sciences, 2003
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Triple proton transfer in crystalline 3,5-dibromo-1H-1,2,4-triazole and 3,5-dichloro-1H-1,2,4-triazole studied by variable-temperature15N NMR andab initio calculations
Concepcion Lopez
Magnetic Resonance in Chemistry, 2000
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Spectral and electrooptical absorption and emission studies on internally hydrogen bonded benzoxazole `double' derivatives: 2,5-bis(benzoxazolyl)hydroquinone (BBHQ) and 3,6-bis(benzoxazolyl)pyrocatechol (BBPC). Single versus double proton transfer in the excited BBPC revisited
Heribert Reis
Chemical Physics, 1999
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Quantum Chemical Exploration of the Intramolecular Hydrogen Bond Interaction in 2-Thiazol-2-yl-phenol and 2-Benzothiazol-2-yl-phenol in the Context of Excited-State Intramolecular Proton Transfer: A Focus on the Covalency in Hydrogen Bond
Dr. Aniruddha Ganguly
2014
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Triple proton transfer in crystalline 3, 5‐dibromo‐1H‐1, 2, 4‐triazole and 3, 5‐dichloro‐1H‐1, 2, 4‐triazole studied by variable‐temperature 15N NMR and ab initio …
José Elguero
Magnetic …, 2000
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Theoretical study of the excited-state double proton transfer in the (3-methyl-7-azaindole)-(7-azaindole) heterodimer
Tetsuya Taketsugu, Shohei Yamazaki
Journal of Computational Chemistry, 2012
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Rotamerisation and intramolecular proton transfer of 2-(2′-hydroxyphenyl)oxazole, 2-(2′-hydroxyphenyl)imidazole and 2-(2′-hydroxyphenyl)thiazole: a theoretical study
Pradipta Purkayastha
Journal of Molecular Structure, 2002
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Quantum Dynamics Study of the Excited-State Double-Proton Transfer in 2,2′-Bipyridyl-3,3′-diol
Miquel Moreno
ChemPhysChem, 2004
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Viscosity vs. temperature effects in excited-state double proton transfer. Comparison of 1-azacarbazole with 7-azaindole
Jerzy Sepioł
The Journal of Physical Chemistry, 1984
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The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl) benzothiazole: a TDDFT molecular dynamics study
Mario Barbatti
2012
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AM1 study of ground state intramolecular proton transfer reaction in 2-(2′-hydroxy-5′-methylphenyl)benzotriazole and 2-(2′-hydroxyphenyl)benzotriazole
Venelin Enchev
Journal of Molecular Structure: THEOCHEM, 1993
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Density Functional Theory Applied to Excited State Intramolecular Proton Transfer in Imidazole-, Oxazole-, and Thiazole-Based Systems
paula mello
Molecules
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C. Excited state proton transfer: Keto-enol tautomerism in the triplet state of hydroxyphenylbenzoxazoles in an alkane glass: Hydrogen tunneling and isotope effects down to 2 K
Peter Walla
Berichte der Bunsengesellschaft für physikalische Chemie
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Excited State and Ground State Proton Transfer Rates of 3-Hydroxyflavone and Its Derivatives Studied by Shpol'skii Spectroscopy: The Influence of Redistribution of Electron Density †
Vasyl Pivovarenko
The Journal of Physical Chemistry B, 2004
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Heteroatom substitution effect on electronic structures, photophysical properties, and excited-state intramolecular proton transfer processes of 3-hydroxyflavone and its analogues: A TD-DFT study
Chattarika Sukpattanacharoen
Journal of Molecular Structure, 2019
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An abnormally slow proton transfer reaction in a simple HBO derivative due to ultrafast intramolecular-charge transfer events
Félix Sánchez
Physical chemistry chemical physics : PCCP, 2015
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On the intramolecular proton transfer of 3-hydroxyflavone in the first singlet excited state: A theoretical study
Ricard Casadesus
Chemical physics, 2006
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Interplay between Intra- and Intermolecular Excited-State Single and Double-Proton-Transfer Processes in the Biaxially Symmetric Molecule 3,7-Dihydroxy-4H,6H-pyrano[3,2- g ]-chromene-4,6-dione
juan carlos del valle
Journal of Physical Chemistry A, 2003
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Mechanisms of Double Proton Transfer. Theory and Applications
Antonio Fernandez Ramos
Zeitschrift für Physikalische Chemie, 2008
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Excited state proton transfer in 3,6-bis(4,5-dihydroxyoxazo-2-yl)benzene-1,2-diol
Venelin Enchev
Chemical Physics Letters , 2013
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The deactivation of singlet excited all-trans-1,6-diphenylhexa-1,3,5-triene by charge transfer processes 2. Formation and dynamics of charge transfer (CT) intermediates
Frank Schael
Chemical Physics, 1997
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Excited-State Diproton Transfer in [2, 2′-Bipyridyl]-3, 3′-diol: the Mechanism Is Sequential, Not Concerted
Mario Barbatti
2009
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On the Origin of Nonvertical Triplet Excitation Transfer: The Relative Role of Double-Bond and Phenyl-Vinyl Torsions in the Stilbenes
Jack Saltiel
The Journal of Physical Chemistry A, 2001
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On the viscosity effects in proton transfer systems. Structure and photophysics of 2-(2′-hydroxy-5′-methylphenyl)-3,3-dimethylindole
Janusz lipkowski
Chemical Physics, 1990
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Electronic properties of small model compounds that undergo excited-state intramolecular proton transfer as measured by electroabsorption spectroscopy
Lavanya Premvardhan
Journal of Photochemistry and Photobiology A: Chemistry, 2002
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Intramolecular proton transfer in 2-(2'-hydroxyphenyl)benzoxazole: The reliability of ab initio calculations on simplified structures
Antonio Fernández-ramos
1999
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Theoretical study on influence of geometry controlling over the excited-state intramolecular proton transfer of 10-hydroxybenzo[ h ]quinoline and its derivatives
Rathawat Daengngern
Computational and Theoretical Chemistry, 2017
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Molecular dynamics of excited state intramolecular proton transfer: 3-hydroxyflavone in solution
Miquel Moreno
The Journal of Chemical Physics, 2012
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