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Solvation of Transition Metal Ions by Water. Sequential Binding Energies of M^+(H_2O)_x (x = 1-4) for M = Ti to Cu Determined by Collision-Induced Dissociation

Dalleska, N. F. and Honma, Kenji and Sunderlin, L. S. and Armentrout, P. B. (1994) Solvation of Transition Metal Ions by Water. Sequential Binding Energies of M^+(H_2O)_x (x = 1-4) for M = Ti to Cu Determined by Collision-Induced Dissociation. Journal of the American Chemical Society, 116 (8). pp. 3519-3528. ISSN 0002-7863. http://resolver.caltech.edu/CaltechAUTHORS:20150622-144457873

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Abstract

Thresholds for collision-induced dissociation of M^+(H_2O), (x = 1-4, M = Ti to Cu) with xenon are measured by using guided ion beam mass spectrometry. In all cases, the primary product is endothermic loss of one water molecule. The cross-section thresholds are interpreted to yield 0 K bond energies after accounting for the effects of multiple ion-molecule collisions, internal energy of the clusters, and dissociation lifetimes. Overall, the results presented here are consistent with previously reported values for x = 1 and 2 and resolve several discrepancies in these values. Theory is shown to accurately predict the BDEs of x = 1 and 2 as well as the sign of the difference between them. For all ions but Mn^+, the bond dissociation energies (BDEs) of the first and second water molecules are large compared with those of the third and fourth water molecules. Trends in BDEs are discussed in terms of hybridization and spin changes occurring at the transition metal center.


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http://dx.doi.org/10.1021/ja00087a044DOIArticle
http://pubs.acs.org/doi/abs/10.1021/ja00087a044PublisherArticle
ORCID:
AuthorORCID
Dalleska, N. F.0000-0002-2059-1587
Alternate Title:Solvation of Transition Metal Ions by Water. Sequential Binding Energies of M+(H2O)x (x = 1-4) for M = Ti to Cu Determined by Collision-Induced Dissociation
Additional Information:© 1994 American Chemical Society. Received October 15, 1993. Revised Manuscript Received January 3, 1994. This work has been funded by the National Science Foundation, Grant No. CHE-9221241. The authors thank Dr. F. A. Khan and Professor T. G. Richmond for supplying us with Mn(CO)_5COCF_3 and Profs Michl and Squires for their comments.
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Funding AgencyGrant Number
NSFCHE-9221241
Record Number:CaltechAUTHORS:20150622-144457873
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20150622-144457873
Official Citation:Solvation of Transition Metal Ions by Water. Sequential Binding Energies of M+(H2O)x (x = 1-4) for M = Ti to Cu Determined by Collision-Induced Dissociation N. F. Dalleska, Kenji Honma, L. S. Sunderlin, and P. B. Armentrout Journal of the American Chemical Society 1994 116 (8), 3519-3528 DOI: 10.1021/ja00087a044
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:58420
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:23 Jun 2015 22:43
Last Modified:11 Apr 2017 16:25

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