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題 名 | On the Search for H邚O[feaf]狇-Centered Water Clusters in the Gas Phase |
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作 者 | 張煥正; 江志強; 張海舟; 王亦生; 林聖賢; 李遠哲; | 書刊名 | Journal of the Chinese Chemical Society |
卷 期 | 46:3 1999.06[民88.06] |
頁 次 | 頁427-434 |
分類號 | 340 |
關鍵詞 | H[feb0]O狇-centered water clusters; H邚O[feaf]狇-centered water clusters; Vibrational predissociation spectroscopy; Ab initio calculations; |
語 文 | 英文(English) |
英文摘要 | In searching for H□O□-centered water clusters, we employed vibrational predissociation spectroscopy and ab initio calculations. Structures of the clusters were characterized by the free- and hydrogen-bonded-OH stretches of ion cores and solvent molecules. Systematic examination of H□(H□O)□ in a supersonic expansion reveals the presence of both cyclic and noncyclic forms of H□O□-centered water clusters. The proton transfer intermediate H□O□(H□O)□ was identified, for the first time, by its characteristic hydrogen-bonded-OH stretches of the ion core at 3178 cm□. Also discovered at n=7 is the H□O□-containing five-membered ring isomer, whose existence is evidenced by the observation of a bonded-OH stretching doublet at 3544 and 3555 cm□ of the solvent molecules. The observations are in accord with ab initio calculations which forecast that H□O□(H□O)□ and H□O□(H□O)□ are, respectively, the lowest-energy isomers of protonated water hexamers and heptamers. |
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