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  • 學位論文

微溶解 H3O+Arm=0-3 的振動耦合理論研究

Theoretical Study On Vibrational Coupling of Micro-Solvated H3O+Arm=0-3

指導教授 : 陳智泓
共同指導教授 : 郭哲來(Jer-Lai Kuo)
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摘要


紅外光解離光譜是一個廣泛使用的實驗技術經由信使標記探測離子簇的振動。信使和離子團簇之間的相互作用被發現不是簡單微擾,並且可以顯著地修改光譜。在目前的工作中,我們研究了氫離子 H3O+Arm,m =0-3 的氬氣微溶解。理論研究揭示了以精確地考慮的光譜特徵振動耦合和溶劑化相互作用的重要性。

關鍵字

微溶解 振動耦合

並列摘要


Infrared photodissociation spectroscopy is an extensive used experimental technique to probe the vibrations of ionic clusters via messenger tagging. The interactions between messengers and ion clusters are found not simply perturbative and can modifying the resulting spectra significantly. In present work, we investigate the Argon micro- solvation of hydronium ion H3O+Arm, m=0-3. The theoretical study reveals the importance of vibrational coupling and the solvation interaction in order to account the spectral features exactly .

並列關鍵字

Vibrational Coupling Micro-Solvated H3O

參考文獻


Myshakin, E. M.; Duncan, M. A.; Johnson, M. A.; Jordan, K. D. Spectral Signatures of
[20] Bandyopadhyay, B.; Cheng, T. C.; Duncan, M. A. Proton Sharing in Hydronium–
[23] Wang, Y.-S.; Tsai, C.-H.; Lee, Y. T.; Chang, H.-C.; Jiang, J. C.; Asvany, O.;
Microsolvated Hydronium Cations H3O
Dynamics. ChemPhysChem 2011, 12, 1906.

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