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Mechanistic Insights into Excited-State Proton Transfer in 2-(2'-Hydroxy-5'-Bromo)Phenylbenzimidazole: A Spectroscopic and Tddft Study

https://doi.org/10.2139/ssrn.4809863
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Photoacid Generators for Biomedical Applications
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A pH-sensitive ESIPT molecule with aggregation-induced emission and tunable solid-state fluorescence multicolor for anti-counterfeiting and food freshness detection
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Precise probe design based ESIPT coupled AIE mechanism toward endogenous cyanide in food detection and bioimaging
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Excited-state intramolecular proton transfer emitter for efficient violet-blue organic light-emitting diodes with hybridized local/charge transfer channel
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Theoretical study on the effect of naphthalene modifications on the ESIPT mechanism and photophysical properties of benzimidazoles
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Controlling the photoswitching of 2-(4′-diethylamino-2′-hydroxyphenyl)-1H-imidazo-[4,5-b]pyridine by pH
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Study of prototropic reactions of indole chalcone derivatives in ground and excited states using absorption and fluorescence spectroscopy
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Substituents effect on the methanol-assisted excited-state intermolecular proton transfer of 7-Aminoquinoline: A theoretical study
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Enol or keto? Interplay between solvents and substituents as a factor controlling ESIPT
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Theoretical insights into ultrafast excited state proton transfer coupled with twisted intramolecular charge transfer mechanism in 7-(2ʹ-pyridyl)indole: Effect of hydrogen bonding
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Spectral characteristics of 2-(2′-hydroxy-3′-pyridyl)benzimidazole: effects of solvents and acid or base concentrations
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Perturbation of proton transfer of 2-(2′-hydroxyphenyl)benzimidazole and its nitrogenous analogues by nanoparticles
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Time-dependent density-functional theory for molecules and molecular solids
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Time-dependent density-functional theory for molecules and molecular solids
inferredcites →https://doi.org/10.1016/s0065-3276(08)60416-5openalex-extracted
Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model
inferredcites →https://doi.org/10.1021/acs.analchem.3c01120openalex-extracted
Precise Electron-Withdrawing Strength Modulation of ESIPT Probes for Ultrasensitive and Specific Fluorescence Sensing
inferredcites →https://doi.org/10.1021/acs.chemrev.6b00491openalex-extracted
Ultrafast Elementary Photochemical Processes of Organic Molecules in Liquid Solution
inferredcites →https://doi.org/10.1021/acs.joc.2c01172openalex-extracted
Modulating the Photocyclization Reactivity of Diarylethenes through Changes in the Excited-State Aromaticity of the π-Linker
inferredcites →https://doi.org/10.1021/acs.jpca.0c10191openalex-extracted
Switching between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction between 7-Hydroxyquinoline and Formate
inferredcites →https://doi.org/10.1021/acs.jpca.1c05530openalex-extracted
Theoretical Investigation of the Excited-State Dynamics Mechanism of the Asymmetric Two-Way Proton Transfer Molecule BTHMB
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Excited-State Intramolecular Proton Transfer in Salicylidene-α-Hydroxy Carboxylate Derivatives: Direct Detection of the Triplet Excited State of the cis-Keto Tautomer
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Excited State Proton Transfer and Deactivation Mechanism of 2-(4′-Amino-2′-hydroxyphenyl)-1H-imidazo-[4,5-c]pyridine and Its Analogues: A Theoretical Study
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Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazole
inferredcites →https://doi.org/10.1021/acs.jpcb.0c09705openalex-extracted
Light-Driven Switching between Intramolecular Proton-Transfer and Charge-Transfer States
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Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission
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Quadruple Anticounterfeiting Encryption: Anion-Modulated Forward and Reverse Excitation-Dependent Multicolor Afterglow in Two-Component Ionic Crystals
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Interplay of Dual-Proton Transfer Relay to Achieve Full-Color Panel Luminescence in Excited-State Intramolecular Proton Transfer (ESIPT) Fluorophores
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Simple NIR-Emitting ESIPT Fluorescent Probe for Thiophenol with a Remarkable Stokes Shift and Its Application
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Organic Lasers Harnessing Excited State Intramolecular Proton Transfer Process
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The path of chemical reactions - the IRC approach
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Hydrogen Bonding in the Electronic Excited State
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A Step Toward an NIR-Emitting ESIPT Probe for Smart Zn2+ Sensing in Different Environments
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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
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Chapter Open for the Excited-State Intramolecular Thiol Proton Transfer in the Room-Temperature Solution
inferredcites →https://doi.org/10.1021/jacs.1c11874openalex-extracted
Thermally Activated Fluorescence vs Long Persistent Luminescence in ESIPT-Attributed Coordination Polymer
inferredcites →https://doi.org/10.1021/jacs.3c07625openalex-extracted
Excited-State (Anti)Aromaticity Explains Why Azulene Disobeys Kasha’s Rule
inferredcites →https://doi.org/10.1021/jacs.8b04795openalex-extracted
De Novo Design of Excited-State Intramolecular Proton Transfer Emitters via a Thermally Activated Delayed Fluorescence Channel
inferredcites →https://doi.org/10.1021/jp507917uopenalex-extracted
Excited-State Proton and Charge Transfer in Protonated Amino and Methylated Derivatives of 2-(2′-Hydroxyphenyl)benzimidazole
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pHotoacids jump further
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Fluorescent chemosensors manipulated by dual/triple interplaying sensing mechanisms
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Solvatochromism of conjugated 4- N , N -dimethylaminophenyl-pyridinium donor–acceptor pairs
inferredcites →https://doi.org/10.1039/d1ra00811kopenalex-extracted
An amino-substituted 2-(2′-hydroxyphenyl)benzimidazole for the fluorescent detection of phosgene based on an ESIPT mechanism
inferredcites →https://doi.org/10.1039/d2cc06556hopenalex-extracted
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inferredcites →https://doi.org/10.1039/d3ay01249bopenalex-extracted
ESIPT-based probes for cations, anions and neutral species: recent progress, multidisciplinary applications and future perspectives
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An ESIPT-based AIE fluorescent probe to visualize mitochondrial hydrogen peroxide and its application in living cells and rheumatoid arthritis
inferredcites →https://doi.org/10.1039/d3ra06061fopenalex-extracted
Highly sensitive and selective detection of triphosgene with a 2-(2′-hydroxyphenyl)benzimidazole derived fluorescent probe
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Adiabatic time-dependent density functional methods for excited state properties
inferredcites →https://doi.org/10.1063/1.2186995openalex-extracted
Excited state geometry optimizations by analytical energy gradient of long-range corrected time-dependent density functional theory
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Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
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Density-functional thermochemistry. III. The role of exact exchange
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Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing
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Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
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An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
inferredcites →https://doi.org/10.1073/pnas.1908516116openalex-extracted
Excited-state proton transfer relieves antiaromaticity in molecules
inferredcites →https://doi.org/10.1080/10610278.2022.2043550openalex-extracted
Protonation–deprotonation dynamics of 2-(4’-pyridyl) benzimidazole derivative with cucurbit[6]uril at two different pH
inferredcites →https://doi.org/10.1103/physrevlett.52.997openalex-extracted
Density-Functional Theory for Time-Dependent Systems
inferredcites →https://doi.org/10.1142/9789812795847_0046openalex-extracted
The Path of Chemical Reactions—The IRC Approach
inferredcites →https://doi.org/10.1146/annurev.physchem.55.091602.094449openalex-extracted
TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
inferredcites →https://doi.org/10.2139/ssrn.4363494openalex-extracted
Excited-State Intramolecular Proton Transfer Emitter for Efficient Violet-Blue Organic Light-Emitting Diodes with Hybridized Local/Charge Transfer Channel
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