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Author Masson, Antoine ♦ Rizzo, Thomas R. ♦ Williams, Evan R.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ ATOMS ♦ CARBONYLS ♦ DISSOCIATION ♦ GLYCINE ♦ HELIUM ♦ HYDROGEN ♦ INFRARED SPECTRA ♦ IONS ♦ ISOMERS ♦ MOLECULES ♦ NITROGEN ♦ OXYGEN ♦ PHOTOLYSIS ♦ VIBRATIONAL STATES
Abstract The effects of tagging protonated glycine with either He or between 1 and 14 H{sub 2} molecules on the infrared photodissociation spectra and the ion structure were investigated. Differences in the IR spectra with either a single He atom or H{sub 2} molecule attached indicate that even a single H{sub 2} molecule can affect the frequencies of some vibrational bands of this simple ion. The protonation site is the preferred location of the tag with He and with up to two H{sub 2} molecules, but evidence for H{sub 2} attachment to the hydrogen atom of the uncharged carboxylic acid is observed for ions tagged with three or more H{sub 2} molecules. This results in a 55 cm{sup −1} red shift in the carboxylic acid OH stretch, and evidence for some structural isomers where the hydrogen bond between the protonated nitrogen and the carbonyl oxygen is partially broken; as a result H{sub 2} molecules attached to this site are observed. These results are supported by theory, which indicates that H{sub 2} molecules can effectively break this weak hydrogen bond with three or more H{sub 2} molecules. These results indicate that large spectral shifts as a result of H{sub 2} molecules attaching to sites remote from the charge can occur and affect stretching frequencies as a result of charge transfer, and that tagging with multiple H{sub 2} molecules can change the structure of the ion itself.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2015-09-14
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 143
Issue Number 10


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