完整後設資料紀錄
DC 欄位 | 值 | 語言 |
---|---|---|
dc.contributor.author | Tsuge, Masashi | en_US |
dc.contributor.author | Kalinowski, Jaroslaw | en_US |
dc.contributor.author | Gerber, R. Benny | en_US |
dc.contributor.author | Lee, Yuan-Pern | en_US |
dc.date.accessioned | 2015-07-21T08:29:27Z | - |
dc.date.available | 2015-07-21T08:29:27Z | - |
dc.date.issued | 2015-03-19 | en_US |
dc.identifier.issn | 1089-5639 | en_US |
dc.identifier.uri | http://dx.doi.org/10.1021/jp5097037 | en_US |
dc.identifier.uri | http://hdl.handle.net/11536/124502 | - |
dc.description.abstract | Proton-bound rare-gas dimer (RgHRg)(+), in which Rg represents a rare-gas atom, serves as a prototypical system for proton solvation by inert-gas atoms. Until now, only centrosymmetric species with Rg = Ar, Kr, or Xe have been identified with infrared spectra. We employed electron bombardment during deposition of a mixture of Xe (or Kr) in p-H-2 at 3.2 K to prepare (RgHRg)(+). Lines at 847.0 and 972.1 cm(-1) are assigned as the Rg-H-Rg antisymmetric stretching (nu(3)) mode and its combination with the RgHRg symmetric stretching (nu(1) + nu(3)) mode of (XeHXe)(+) in solid p-H-2, respectively. Lines at 871.1 and 974.0 cm(-1) are assigned as the nu(3) and nu(1) + nu(3) modes of (KrHKr)(+) in solid p-H-2, respectively. Slightly shifted and broadened lines were observed for these species in solid n-H-2. These results agree satisfactorily with reported experimental values of (XeHXe)(+) and (KrHKr)(+) in solid Xe, Kr, and Ar, and with the quantum-chemically predicted anharmonic vibrational wavenumbers of these species in the gaseous phase; the significant spectral shifts in various matrixes are rationalized with the proton affinities of the hosts. When a mixture of Xe and Kr in p-H-2 was used, an additional broad feature at 1284 cm(-1) was observed and assigned as the nu(3) mode of (KrHXe)(+) in solid p-H-2. This line shifted to 1280 cm(-1) in solid n-H-2 and the corresponding line of (KrDXe)(+) was observed at 954 cm(-1) in n-D-2. The observations of these lines are new; the wavenumbers significantly blue shifted from those of the centrosymmetric (RgHRg)(+) agree with the quantum-chemically predicted anharmonic vibrational wavenumbers of 1279 cm(-1) for (KrHXe)(+) and 916 cm(-1) for (KrDXe)(+). Analysis of the computational results shows that electronic correlation effects play a much greater role for the asymmetric than for the symmetric species. An interpretation for this is provided. | en_US |
dc.language.iso | en_US | en_US |
dc.title | Infrared Identification of Proton-Bound Rare-Gas Dimers (XeHXe)(+), (KrHKr)(+), and (KrHXe)(+) and Their Deuterated Species in Solid Hydrogen | en_US |
dc.type | Article | en_US |
dc.identifier.doi | 10.1021/jp5097037 | en_US |
dc.identifier.journal | JOURNAL OF PHYSICAL CHEMISTRY A | en_US |
dc.citation.volume | 119 | en_US |
dc.citation.issue | 11 | en_US |
dc.citation.spage | 2651 | en_US |
dc.citation.epage | 2660 | en_US |
dc.contributor.department | 應用化學系 | zh_TW |
dc.contributor.department | 應用化學系分子科學碩博班 | zh_TW |
dc.contributor.department | Department of Applied Chemistry | en_US |
dc.contributor.department | Institute of Molecular science | en_US |
dc.identifier.wosnumber | WOS:000351557300051 | en_US |
dc.citation.woscount | 0 | en_US |
顯示於類別: | 期刊論文 |