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. doi:10.1021/jp9729425. 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.
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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CHE-8957243 and CHE-9700610), the JPL Supercomputing Project, F. Huisken for results, and S. Xantheas for providing unpublished results and assistance in interpreting our calculations. | ||||||||
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Issue or Number: | 3 | ||||||||
DOI: | 10.1021/jp9729425 | ||||||||
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: | 16 Nov 2021 00:23 |
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