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Charge-Transfer and SERS Coupling on TiO2
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作者 Syed K. Islam Antonio Ponte 《American Journal of Analytical Chemistry》 2023年第11期519-530,共12页
We report the SERS enhancements of Raman forbidden surface modes of TiO<sub>2</sub> in different sized TiO<sub>2</sub> crystals. This current study utilizes the relationship between the vibroni... We report the SERS enhancements of Raman forbidden surface modes of TiO<sub>2</sub> in different sized TiO<sub>2</sub> crystals. This current study utilizes the relationship between the vibronic coupling and the degree of charge-transfer to explain the differences of Surface Enhanced Raman Scattering (SERS) enhancements. Our study shows a direct correlation between the degree of charge-transfer and vibronic coupling. This relationship suggests that charge-transfer between the N-719 dye and TiO<sub>2</sub> due to vibronic coupling plays a fundamental role in SERS enhancements. Furthermore, this study shows a strong dependence of the enhancements of the N-719 dye molecular modes to that of the surface modes. This indicates that the mechanism that governs the enhancements of the surface modes in TiO<sub>2</sub> crystals most likely also dictates the enhancements of the N-719 dyes. 展开更多
关键词 CHARGE-TRANSFER vibronic coupling Fano Profile TiO2 Sur-face Modes
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Selective conformer detection of short-lived base pair tautomers: A computational study of the unusual guanine-cytosine pairs using ultrafast resonance Raman spectroscopy
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作者 Baoling Tian Yizhou Fang +4 位作者 Shulai Lei Ke Xu Chaozheng He Shujuan Li Hao Ren 《Chinese Chemical Letters》 SCIE CAS CSCD 2023年第10期252-258,共7页
Base pair mismatch has been regarded as the main source of DNA point mutations, where minor shortlived tautomers were usually involved. However, the detection and characterization of these unnatural species pose chall... Base pair mismatch has been regarded as the main source of DNA point mutations, where minor shortlived tautomers were usually involved. However, the detection and characterization of these unnatural species pose challenges to existing techniques. Here, by using systematic structural and ultrafast resonance Raman(RR) spectral analysis for the four possible conformers of guanine-cytosine base pairs, the prominent marker Raman bands were identified. We found that the hydrogen bonding vibrational region from 2300 cm^(-1) to 3700 cm^(-1) is ideal for the identification of these short live species. The marker bands provide direct evidence for the existence of the tautomer species, thus offering an effective strategy to detect the short-lived minor species. Ultrafast resonance Raman spectroscopy would be a powerful tool to provide direct evidence of critical dynamical details of complex systems involving protonation or tautomerization. 展开更多
关键词 Guanine-cytosine pair Hydrogen bonding TAUTOMER Resonance Raman vibronic coupling
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