Tailoring the Schiff base photoswitching - a non-adiabatic molecular dynamics study of substituent effect on excited state proton transfer (original) (raw)

Theoretical Study on the Excited-State Intramolecular Proton Transfer in the Aromatic Schiff Base Salicylidene Methylamine: an Electronic Structure and Quantum Dynamical Approach

Juan Manuel Ortiz

Journal of Physical Chemistry A, 2006

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Photophysics of Protonated and Microhydrated 2-Aminobenzaldehyde: Theoretical Insights into Photoswitchability of Protonated Systems

Reza omidyan

The Journal of Physical Chemistry A, 2018

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Excited state proton transfer and photochromism of an aromatic Schiff base. Pico and femtosecond kinetics of the N, N ′-bis(salicylidene)- p-phenylenediamine (BSP

Andrzej Maciejewski

Chemical Physics Letters, 2003

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The Electron Localization Function in Excited States: The Case of the Ultra-Fast Proton Transfer of the Salicylidene Methylamine

Boris Maulén

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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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Revealing the Dynamic of Excited State Proton Transfer of a π-Conjugated Salicylidene Compound: An Experimental and Theoretical Study

José Germino

The Journal of Physical Chemistry C, 2017

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Design of molecular switching and signaling based on proton transfer in 2-hydroxy Schiff bases: a computational study

Rifaat Hilal

Journal of Molecular Modeling, 2012

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Enhanced Sampling Aided Design of Molecular Photoswitches

Todd Martinez

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Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer Using Multireference Perturbation Theory

Todd Martinez

Journal of Physical Chemistry A, 2007

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Photoinduced proton exchange between molecular switches

Silvia Giordani

Tetrahedron, 2004

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Nonradiative inter- and intramolecular energy transfer from the aromatic donor anisole to a synthesized photoswitchable acceptor system

Joydeep Chowdhury

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2010

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Excited State Topology Modifications of the Dihydroazulene Photoswitch Through Aromaticity

Tõnu Pullerits

ChemPhotoChem

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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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Dynamics of excited-state proton transfer systems via time-resolved photoelectron spectroscopy

Thomas Schultz

The Journal of Chemical Physics, 2001

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Potential Energy Landscape of the Photoinduced Multiple Proton-Transfer Process in the Green Fluorescent Protein: Classical Molecular Dynamics and Multiconfigurational Electronic Structure Calculations

Jose Lluch

Journal of the American Chemical Society, 2006

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Excited-State Proton Transfer: From Constrained Systems to “Super” Photoacids to Superfast Proton Transfer

João Carlos Lima

Accounts of Chemical Research, 2002

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Excited‐State Properties and Environmental Effects for Protonated Schiff Bases: A Theoretical Study

Mario Barbatti, Adélia Aquino

2006

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Photoinduced Proton Transfer as a Possible Mechanism for Highly Efficient Excited-State Deactivation in Proteins

Marco Marazzi

The Journal of Physical Chemistry Letters, 2010

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Evidence of coupled photoinduced proton transfer and intramolecular charge transfer reaction in para-N,N-dimethylamino orthohydroxy benzaldehyde: Spectroscopic and theoretical studies

Samiran Kar

Chemical Physics, 2008

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Light driven molecular switches: exploring and tuning their photophysical and photochemical properties

Marco Garavelli

Theoretical Chemistry Accounts, 2007

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Deciphering the photophysics of 5-chlorosalicylic acid: evidence for excited-state intramolecular proton transfer

Bijan Paul

Photochemical & Photobiological Sciences, 2010

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Caught in the act: real-time observation of the solvent response that promotes excited-state proton transfer in pyranine

Debasish Das Mahanta

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Ultrafast Excited-state Proton Transfer Processes: Energy Surfaces and On-the-fly Dynamics Simulations

Mario Barbatti

2009

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Proton Transfer Assisted Charge Transfer Phenomena in Photochromic Schiff Bases and Effect of –NEt 2 Groups to the Anil Schiff Bases

Sankar Jana

The Journal of Physical Chemistry A, 2012

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Evidence for excited-state intramolecular proton transfer in 4-chlorosalicylic acid from combined experimental and computational studies: Quantum chemical treatment of the intramolecular hydrogen bonding interaction

Bijan Paul

Chemical Physics, 2012

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Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials

Vladimir Chernyak

Accounts of Chemical Research, 2014

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Synergistic Approach of Ultrafast Spectroscopy and Molecular Simulations in the Characterization of Intramolecular Charge Transfer in Push-Pull Molecules

Barbara Patrizi

Molecules

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Photoinduced Proton Transfer and Rotational Motion of 1-Hydroxy-2-acetonaphthone in the S 1 State: A Theoretical Insight into Its Photophysics

lucia santos

The Journal of Physical Chemistry A, 2000

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Excited State Deactivation via Solvent to Chromophore Proton Transfer in Isolated 1:1 Molecular Complex: Experimental Validation by Measuring the Energy Barrier and Kinetic Isotope Effect

Simran Baweja

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