- 作者: 張煥正 ; 江志強 ; 張海舟 ; 王亦生 ; 林聖賢 ; 李遠哲
- 作者服務機構: 中央研究院原子與分子科學研究所
- 中文摘要: In searching for H/sub 5/O/sub 2//sup +/-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/sup +/(H/sub 2/O)/sub 5-7/ in a supersonic expansion reveals the presence of both cyclic and noncyclic forms of H/sub 5/O/sub 2//sup +/-centered water clusters. The proton transfer intermediate H/sub 5/O/sub 2//sup +/(H/sub 2/O)/sub 4/ was identified, for the first time, by its characteristic hydrogen-bonded-OH stretches of the ion core at 3,178cm/sup -1/. Also discovered at n = 7 is the H/sub 5/O/sub 2//sup +/-containing five-membered ring isomer, whose existence is evidenced by the observation of a bonded-OH stretching doublet at 3,544 and 3,555 cm/sup -1/ of the solvent molecules. The observations are in accord with ab initio calculations which forecast that H/sub 5/O/sub 2//sup +/H/sub 2/O)/sub 4/ and H/sub 5/O/sub 2//sup +/(H/sub 2/O)/sub 5/ are, respectively, the lowest-energy isomers of protonated water hexamers and heptamers.
- 英文摘要: --
- 中文關鍵字: Vibrational Predissociation Spectroscopy; Ab Initio Calculation; Isomer
- 英文關鍵字: 振動預先解離光譜;ab初計算;異構物