Journal ArticleDOI
Ultrafast hydrogen bond strengthening of the photoexcited fluorenone in alcohols for facilitating the fluorescence quenching.
Guangjiu Zhao,Ke-Li Han +1 more
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TLDR
It is demonstrated that the intermolecular hydrogen bond C=O...H-O between fluorenone and methanol molecules is significantly strengthened in the electronically excited-state upon photoexcitation of the hydrogen-bonded FM-MeOH complex, which can be used to explain well all the spectral features of fluore None chromophore in alcoholic solvents.Abstract:
The time-dependent density functional theory (TDDFT) method was performed to investigate the excited-state hydrogen-bonding dynamics of fluorenone (FN) in hydrogen donating methanol (MeOH) solvent. The infrared spectra of the hydrogen-bonded FN-MeOH complex in both the ground state and the electronically excited states are calculated using the TDDFT method, since the ultrafast hydrogen-bonding dynamics can be investigated by monitoring the vibrational absorption spectra of some hydrogen-bonded groups in different electronic states. We demonstrated that the intermolecular hydrogen bond C=O...H-O between fluorenone and methanol molecules is significantly strengthened in the electronically excited-state upon photoexcitation of the hydrogen-bonded FM-MeOH complex. The hydrogen bond strengthening in electronically excited states can be used to explain well all the spectral features of fluorenone chromophore in alcoholic solvents. Furthermore, the radiationless deactivation via internal conversion (IC) can be facilitated by the hydrogen bond strengthening in the excited state. At the same time, quantum yields of the excited-state deactivation via fluorescence are correspondingly decreased. Therefore, the total fluorescence of fluorenone in polar protic solvents can be drastically quenched by hydrogen bonding.read more
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Journal ArticleDOI
Hydrogen bonding in the electronic excited state.
Guangjiu Zhao,Ke-Li Han +1 more
TL;DR: The electronic excited-state hydrogen-bonding dynamics, which are predominantly determined by the vibrational motions of the hydrogen donor and acceptor groups, generally occur on ultrafast time scales of hundreds of femtoseconds as mentioned in this paper.
Journal Article
Hydrogen Bonding in the Electronic Excited State
Guangjiu Zhao,Ke-Li Han +1 more
TL;DR: The research expands the understanding of the nature of hydrogen bonding by delineating the interaction between hydrogen bonds and photons, thereby providing a basis for excited-state hydrogen bonding studies in photophysics, photochemistry, and photobiology.
Journal ArticleDOI
Excited-state proton coupled charge transfer modulated by molecular structure and media polarization
TL;DR: With knowledge of the mechanisms of these processes, desired rates and directions can be achieved, and thus the multiple emission spectral features can be harnessed.
Journal ArticleDOI
Site-specific solvation of the photoexcited protochlorophyllide a in methanol: formation of the hydrogen-bonded intermediate state induced by hydrogen-bond strengthening.
Guangjiu Zhao,Ke-Li Han +1 more
TL;DR: It is theoretically confirmed that the intermolecular coordination and hydrogen bonds between Pchlide a and methanol molecules can be strengthened in the electronically excited state of PchLide a.
References
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Journal ArticleDOI
Ab initio studies on the photophysics of the guanine?cytosine base pair
TL;DR: In this paper, the authors investigated the low-lying excited singlet states of the guanine-cytosine base pair with multi-reference ab initio methods (complete-active-space self-consistent field (CASSCF) method and second-order perturbation theory based on the CASPT2).
Journal ArticleDOI
Femtosecond studies of solvation and intramolecular configurational dynamics of fluorophores in liquid solution.
Max Glasbeek,Hong Zhang +1 more
Journal ArticleDOI
Role of electron-driven proton-transfer processes in the excited-state deactivation of the adenine-thymine base pair.
TL;DR: Evidence is provided that the specific hydrogen-bonding pattern of the Watson-Crick conformer of A-T endows this structure with a greatly enhanced photostability, essential for the selection of this species as carrier of genetic information in early stages of the biological evolution.
Journal ArticleDOI
Fluorescence quenching: A tool for single-molecule protein-folding study
Xiaowei Zhuang,Taekjip Ha,Taekjip Ha,Harold D. Kim,Thomas Centner,Siegfried Labeit,Steven Chu +6 more
TL;DR: By using titin as a model system, it is demonstrated that fluorescence quenching can be used to study protein folding at the single molecule level and can signal folding and unfolding of a small protein with only one immunoglobulin domain.
Journal ArticleDOI
Ultrafast charge transfer in excited electronic states and investigations into fundamental problems of exciplex chemistry: Our early studies and recent developments
TL;DR: In this article, Mataga et al. showed that photoexcitation of a solute molecule induces a large dipole moment in the excited solute in a polar solvent, for which the first quantitative theoretical formula was proposed and its experimental proof was given by Mataga, Y. Kaifu, M. Miyasaka, H. Matsuda, A. Okada, and M. Bunsenges.
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