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題 名 | The Vibrational Effects In Hydrogen Bonding-Acetic Acid Dimer |
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作 者 | 江彰吉; | 書刊名 | 中原學報 |
卷 期 | 6 1977.12[民66.12] |
頁 次 | 頁37-50 |
關鍵詞 | |
語 文 | 英文(English) |
英文摘要 | A study of hydrogen bonding in the dimer acetic acid complex,(CH3 COOH)2, is reported. The acetic acid dimer is one of a series of Known carboxylic acid dimer bound by pair of O-H...O hydrogen bonds. The vibrations of the two bridge hydrogens are strongly coupled resulting in two mixed vibrational modes, one Raman and one infrared active. The potential energy function in this case has to be extended to include the coordinate of two hydrogen bonds plus an interaction term involving the coordinates specifically of the two bridge hydrogen atoms. Methods of generating a potential surface using a semiempirical approach and the solving the Schrodinger equation for the stationary states of the hydrogen atoms is discussed. Comparisons are made with structural and spectroscopic observations, and predictions are made for unobserved properties of the complex. |
本系統中英文摘要資訊取自各篇刊載內容。