Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Leicht, Daniel | en_US |
dc.contributor.author | Rittgers, Brandon M. | en_US |
dc.contributor.author | Douberly, Gary E. | en_US |
dc.contributor.author | Wagner, J. Philipp | en_US |
dc.contributor.author | McDonald, David C., II | en_US |
dc.contributor.author | Mauney, Daniel T. | en_US |
dc.contributor.author | Tsuge, Masashi | en_US |
dc.contributor.author | Lee, Yuan-Pern | en_US |
dc.contributor.author | Duncan, Michael A. | en_US |
dc.date.accessioned | 2020-10-05T02:01:54Z | - |
dc.date.available | 2020-10-05T02:01:54Z | - |
dc.date.issued | 2020-08-28 | en_US |
dc.identifier.issn | 0021-9606 | en_US |
dc.identifier.uri | http://dx.doi.org/10.1063/5.0019731 | en_US |
dc.identifier.uri | http://hdl.handle.net/11536/155326 | - |
dc.description.abstract | The H+(CO)(2) and D+(CO)(2) molecular ions were investigated by infrared spectroscopy in the gas phase and in para-hydrogen matrices. In the gas phase, ions were generated in a supersonic molecular beam by a pulsed electrical discharge. After extraction into a time-of-flight mass spectrometer, the ions were mass selected and probed by infrared laser photodissociation spectroscopy in the 700 cm(-1)-3500 cm(-1) region. Spectra were measured using either argon or neon tagging, as well as tagging with an excess CO molecule. In solid para-hydrogen, ions were generated by electron bombardment of a mixture of CO and hydrogen, and absorption spectra were recorded in the 400 cm(-1)-4000 cm(-1) region with a Fourier-transform infrared spectrometer. A comparison of the measured spectra with the predictions of anharmonic theory at the CCSD(T)/ANO1 level suggests that the predominant isomers formed by either argon tagging or para-hydrogen isolation are higher lying (+7.8 kcal mol(-1)), less symmetric isomers, and not the global minimum proton-bound dimer. Changing the formation environment or tagging strategy produces other non-centrosymmetric structures, but there is no spectroscopic evidence for the centrosymmetric proton-bound dimer. The formation of higher energy isomers may be caused by a kinetic effect, such as the binding of X (=Ar, Ne, or H-2) to H+(CO) prior to the formation of X H+(CO)(2). Regardless, there is a strong tendency to produce non-centrosymmetric structures in which HCO+ remains an intact core ion. | en_US |
dc.language.iso | en_US | en_US |
dc.title | Infrared spectroscopy of H+(CO)(2) in the gas phase and in para-hydrogen matrices | en_US |
dc.type | Article | en_US |
dc.identifier.doi | 10.1063/5.0019731 | en_US |
dc.identifier.journal | JOURNAL OF CHEMICAL PHYSICS | en_US |
dc.citation.volume | 153 | en_US |
dc.citation.issue | 8 | en_US |
dc.citation.spage | 0 | en_US |
dc.citation.epage | 0 | en_US |
dc.contributor.department | 交大名義發表 | zh_TW |
dc.contributor.department | 應用化學系 | zh_TW |
dc.contributor.department | National Chiao Tung University | en_US |
dc.contributor.department | Department of Applied Chemistry | en_US |
dc.identifier.wosnumber | WOS:000565705700001 | en_US |
dc.citation.woscount | 0 | en_US |
Appears in Collections: | Articles |