A5102830979- Photochemistry and Electron Transfer Studies
- Free Radicals and Antioxidants
- Spectroscopy and Quantum Chemical Studies
- Organic Electronics and Photovoltaics
- Porphyrin and Phthalocyanine Chemistry
- Molecular Junctions and Nanostructures
- Organic Light-Emitting Diodes Research
- Asymmetric Hydrogenation and Catalysis
- Chemical Synthesis and Reactions
- Radical Photochemical Reactions
- Analytical Chemistry and Chromatography
- Oxidative Organic Chemistry Reactions
- Conducting polymers and applications
- Chemistry and Stereochemistry Studies
- Quantum optics and atomic interactions
- Chemical Reactions and Mechanisms
- Perovskite Materials and Applications
- Organic Chemistry Cycloaddition Reactions
- Analytical Chemistry and Sensors
- Electron Spin Resonance Studies
- Various Chemistry Research Topics
- Antioxidant Activity and Oxidative Stress
- Fullerene Chemistry and Applications
- Quantum Dots Synthesis And Properties
- Molecular Sensors and Ion Detection
Chongqing University of Education
2022-2025
Jilin University
2018-2023
Liaoning University
2016-2023
University of Science and Technology Beijing
2017
Hebei University of Technology
2013-2014
The single and dual cooperated proton transfer dynamic process in the excited state of 1,5-dihydroxyanthraquinone (1,5-DHAQ) was theoretically investigated, taking solvent effects (ethanol) into account. absorption fluorescence spectra were simulated, exhibited, which is consistent with previous experiments. Analysis calculated IR Raman vibration reveals that intramolecular hydrogen bonding interactions (O20-H21···O24 O22-H23···O25) are strengthened following process. Finally, by...
The ESIPT scheme among<bold>enol–enol</bold>,<bold>enol–keto</bold>and<bold>keto–keto</bold>: equilibrium process exists in the S<sub>1</sub>state. And following with radiative transition, reversed GSIPT can also occur S<sub>0</sub>state.
In this work, vibration-resolved photoinduced electron transfer of an organic conjugated DA system subjected to external electric field was theoretically investigated. The ground and excited state vibrational relaxation energies were quantitatively characterized. effective high frequency, ωeff, could be estimated from the variation in energy excited-state equilibrium geometries acceptor donor sites as well analysis modes upon transfer. For a PCDTBT:PC70BM blend field, vibronic affected...
The vibrational coupling of the nucleus and electrons induces guanine–cytosine coherent charge transfer.
Abstract The excited‐state intramolecular proton transfer (ESIPT) process of 6‐amino‐2‐(2′‐hydroxyphenyl) benzoxazole (6A‐HBO) was investigated using density functional theory and time‐dependent methods with B3LYP TZVP basis sets. n ‐Heptane, dichloromethane, methanol, acetonitrile were chosen as a series polar solvents in calculations the IEFPCM model. To obtain more comprehensive ESIPT mechanism, we constructed S 0 1 states' potential energy surfaces (PESs) by incrementally twisting ─OH...
Abstract The anisotropic hole and electron mobilities in N , ′-3,4,9,10-perylenediimide-1,7-phenoxy (PDIB-2OPh) ʹ-3,4,9,10-perylenediimide (PDIB) were theoretically predicted using the Marcus–Hush theory. substituent effect of phenoxy on their mobility rates, absorption spectra, affinities, ionization potentials was explored. By comparing simulated PDIB PDIB-2OPh, it is found that rings act as spacers between adjacent stacking columns phenoxy-substituted derivatives. increasement number...
Excited-state intramolecular proton transfer (PT), an important process in photosynthesis, has been widely available for fluorescence sensors and fluorescent probes.