Infrared spectra of the solvated hydronium ion: Vibrational predissociation spectroscopy of mass-selected H sub 3 O sup + sm bullet (H sub 2 O) sub n sm bullet (H sub 2 ) sub m

Journal Article · Thu May 03 00:00:00 EDT 1990 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100372a014· OSTI ID:6381359

Okumura, M; Yeh, L I; Myers, J D; Lee, Y T ^[1]

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1. Lawrence Berkeley Lab., CA (USA)

Infrared spectra of the mass-selected clusters H{sub 3}O{sup +}{sm bullet}(H{sub 2}O){sub n}{sm bullet}(H{sub 2}) and H{sub 3}O{sup +}{sm bullet}(H{sub 2}){sub n} (n = 1,2, and 3) were observed by vibrational predissociation spectroscopy. The clusters were mass-selected and then trapped in a radio frequency ion trap. Cluster dissociation by loss of H{sub 2} followed excitation of OH or H{sub 2} stretches. Spectra were recorded by detecting fragment ions as a function of laser frequency. From spectra of H{sub 3}O{sup +}{sm bullet}(H{sub 2}O){sub n}{sm bullet}(H{sub 2}), the authors were able to determine the spectrum of the hydrated hydronium ion H{sub 3}O{sup +}{sm bullet}(H{sub 2}O){sub n}, because the H{sub 2} formed weak complexes with the hydrates. Spectra in the OH stretching region (3,000-4,000 cm{sup {minus}1}) were observed at a resolution of 1.3 cm{sup {minus}1} for clusters n = 1,2, and 3. The structure of the clusters and the perturbing effect of the H{sub 2} were inferred from a comparison with recent unpublished ab initio vibrational frequencies calculated by Remington and Schaefer.

• DOE Contract Number: AC03-76SF00098
• OSTI ID: 6381359
• Journal Information: Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 94:9; ISSN 0022-3654; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
CHARGED PARTICLES
DATA
DATA ANALYSIS
ENERGY LEVELS
EXCITED STATES
EXPERIMENTAL DATA
INFORMATION
INFRARED SPECTRA
IONS
MEASURING INSTRUMENTS
MEASURING METHODS
MOLECULAR IONS
NUMERICAL DATA
OXONIUM IONS
SOLVATION
SPECTRA
VIBRATIONAL STATES