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Vibrational Spectroscopy of the Cl^-(H_2O)_n Anionic Clusters, n = 1−5

Choi, Jong-Ho and Kuwata, Keith T. and Cao, Yi-Bin and Okumura, Mitchio (1998) Vibrational Spectroscopy of the Cl^-(H_2O)_n Anionic Clusters, n = 1−5. Journal of Physical Chemistry A, 102 (3). pp. 503-507. ISSN 1089-5639. https://resolver.caltech.edu/CaltechAUTHORS:20180719-164852421

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Abstract

The hydrogen-bonded and free OH stretch modes of Cl^-(H_2O)_n (n = 1−5) have been observed by vibrational predissociation spectroscopy in the 2.6−3.2 μm region. Besides demonstrating that all clusters form strong ionic hydrogen bonds, the spectra provide clear evidence of water−water hydrogen-bonding networks in n = 4 and n = 5, with the broad spectrum of n = 5 resembling that of large neutral water clusters. No water−water hydrogen bonding is seen in n = 2 and n = 3, but these clusters appear to be solvated asymmetrically. While the data suggest that Cl^- ion is solvated on the surface of water clusters, there are discrepancies between the observed spectra and ab initio predictions. This disagreement may stem from either zero-point motion or high cluster temperature, which tend to disrupt hydrogen bonding among the waters.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://dx.doi.org/10.1021/jp9729425DOIArticle
ORCID:
AuthorORCID
Okumura, Mitchio0000-0001-6874-1137
Additional Information:© 1998 American Chemical Society. Received: September 9, 1997; In Final Form: November 24, 1997. We thank NSF (Grants CHE-8957243 and CHE-9700610), the JPL Supercomputing Project, F. Huisken for results, and S. Xantheas for providing unpublished results and assistance in interpreting our calculations.
Funders:
Funding AgencyGrant Number
NSFCHE-8957243
NSFCHE-9700610
JPL Supercomputing ProjectUNSPECIFIED
Issue or Number:3
Record Number:CaltechAUTHORS:20180719-164852421
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20180719-164852421
Official Citation:Vibrational Spectroscopy of the Cl-(H2O)n Anionic Clusters, n = 1−5 Jong-Ho Choi, Keith T. Kuwata, Yi-Bin Cao, and Mitchio Okumura The Journal of Physical Chemistry A 1998 102 (3), 503-507 DOI: 10.1021/jp9729425
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:88046
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:23 Jul 2018 16:17
Last Modified:03 Oct 2019 20:02

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