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Vibrational spectroscopy of the hydrated hydronium cluster ions H3O+·(H2O)n (n=1, 2, 3)

Yeh, L. I. and Okumura, M. and Myers, J. D. and Price, J. M. and Lee, Y. T. (1989) Vibrational spectroscopy of the hydrated hydronium cluster ions H3O+·(H2O)n (n=1, 2, 3). Journal of Chemical Physics, 91 (12). pp. 7319-7330. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:YEHjcp89

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Abstract

The gas phase infrared spectra of the hydrated hydronium cluster ions H3O+·(H2O)n(n=1, 2, 3) have been observed from 3550 to 3800 cm^−1. The new spectroscopic method developed for this study is a two color laser scheme consisting of a tunable cw infrared laser with 0.5 cm^−1 resolution used to excite the O–H stretching vibrations and a cw CO2 laser that dissociates the vibrationally excited cluster ion through a multiphoton process. The apparatus is a tandem mass spectrometer with a radio frequency ion trap that utilizes the following scheme: the cluster ion to be studied is first mass selected; spectroscopic interrogation then occurs in the radio frequency ion trap; finally, a fragment ion is selected and detected using ion counting techniques. The vibrational spectra obtained in this manner are compared with that taken previously using a weakly bound H2 "messenger." A spectrum of H7 O<sup> + </sup><sub>3</sub> taken using a neon messenger is also presented. Ab initio structure and frequency predictions by Remington and Schaefer are compared with the experimental results.


Item Type:Article
Additional Information:Copyright © 1989 American Institute of Physics. Received 24 January 1989; accepted 6 July 1989. We thank R. Remington and H. Schaefer for providing us with results of unpublished calculations. This work was supported by the Director, Office of Energy Research, Office of Basic energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract No. DE-AC03-76SF00098. The F-center laser was on loan from the the San Francisco Laser Center, a National Science Foundation ?Regional Instrumentation Facility., NSF Grant No. CHE79-16250 awarded to the University of California at Berkeley in collaboration with Stanford University. [J.D.M. was the recipient of an] NSF predoctoral fellowship.
Subject Keywords:HYDRONIUM RADICALS, MOLECULAR IONS, INFRARED SPECTRA, HYDRATION, VIBRATIONAL STATES, ENERGY−LEVEL TRANSITIONS, IONOSPHERE, MULTI−PHOTON PROCESSES, STRUCTURAL CHEMICAL ANALYSIS, MOLECULAR CLUSTERS
Record Number:CaltechAUTHORS:YEHjcp89
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:YEHjcp89
Alternative URL:http://dx.doi.org/10.1063/1.457305
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:10629
Collection:CaltechAUTHORS
Deposited By: Archive Administrator
Deposited On:22 May 2008
Last Modified:26 Dec 2012 10:03

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