Excited state proton transfer in the triplet state of 8-hydroxy-5-nitroquinoline: a transient absorption and time-resolved resonance Raman spectroscopic study

Wang, Ran; Zhang, Fengjin; Pan, Xinghang; Zheng, Xuming; Xue, Jingling; Du, Yong; Xie, Binbin

doi:10.1039/d2cp04315g

Cited by 4 publications

(2 citation statements)

References 57 publications

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“…The steady-state and nanosecond time-resolved resonance Raman spectra were acquired with a homemade spectroscopic apparatus described previously . In brief, the Raman excitation laser was lightly focused onto the flowing liquid sample, and the Raman scattering was collected using an ellipsoidal mirror and detected by a liquid-nitrogen-cooled CCD detector.…”

Section: Experimental and Theoretical Methodsmentioning

confidence: 99%

“…The steady-state and nanosecond time-resolved resonance Raman spectra were acquired with a homemade spectroscopic apparatus described previously. 24 In brief, the Raman excitation laser was lightly focused onto the flowing liquid sample, and the Raman scattering was collected using an ellipsoidal mirror and detected by a liquid-nitrogen-cooled CCD detector. In the steady-state resonance Raman experiments, the 266 and 217 nm laser pulses were obtained from the fourth harmonic of an Nd:YAG Q-switched laser and the second anti-Stokes scattering of hydrogen gas induced by the 266 nm laser pulse, respectively.…”

Section: Experimental and Theoretical Methodsmentioning

confidence: 99%

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Structure and Electron Configuration of Imidazole-2-carboxaldehyde and Its Excited Triplet: Resonance Raman and Transient Absorption Spectroscopy and DFT Calculation Investigations

Huang,

Zhang,

Zhao

et al. 2023

J. Phys. Chem. A

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Imidazole-2-carboxaldehyde (IC) can be generated in atmospheric waters and absorbs solar radiation in the near UV region to produce its excited triplet state ( 3 IC), which contributes to the formation of a secondary organic aerosol (SOA). The photoreactivity of IC is significantly influenced by its surroundings, such as water and acidic environment, because IC is capable of transforming into gem-diol under above conditions. Meanwhile, the electron configuration of 3 IC is critical in elucidating the reaction mechanism of 3 IC with other anthropogenic and biogenic volatile organic compounds (VOCs). In this study, steady-state and time-resolved resonance Raman as well as transient absorption spectroscopic experiments were conducted to provide vibrational and kinetic information on IC and 3 IC in the presence of water and acid conditions. Using density functional theory (DFT) calculations, the H-bonding at the carbonyl O was confirmed and the hydrated structure of IC and 3 IC was determined. 1,4-Cyclohexadiene is a good hydrogen donor, and it has a second-order rate constant of ∼10 7 M −1 s −1 toward 3 IC. The results of CASSCF calculations suggest that the hydrogen abstraction may involve the transition from the ππ* to nπ* triplet state via the surface-crossing point.

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Section: Experimental and Theoretical Methodsmentioning

confidence: 99%

Section: Experimental and Theoretical Methodsmentioning

confidence: 99%