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Title: Dehydrogenation reactions in Mg[sup +](H[sub 2]O)[sub [ital n]] clusters

Abstract

Experimental observations of the effects of solvation on the dehydrogenation reaction of Mg[sup +](H[sub 2]O)[sub [ital n]] to produce MgOH[sup +](H[sub 2]O)[sub [ital n][minus]1] are presented for [ital n][le]6. The reaction is seen to occur spontaneously at room temperature for [ital n][gt]4. Ligand switching reactions are used to show the Mg[sup +]--OH bonds are stronger than Mg[sup +]H[sub 2]O bonds. The results show the energy required to lose an H atom decreases with the number of water molecules attached because the magnesium changes oxidation state and this results in stronger interactions with the water ligands. [ital Ab] [ital initio] calculations are used to explain these observations.

Authors:
; ; ;  [1]
  1. (Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania 16802 (United States))
Publication Date:
OSTI Identifier:
5246396
DOE Contract Number:  
FG02-92ER14258; FG05-87ER45316
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics; (United States)
Additional Journal Information:
Journal Volume: 100:5; Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; MAGNESIUM; DEHYDROGENATION; WATER; CHEMICAL BONDS; LIGANDS; MAGNESIUM HYDROXIDES; MOLECULAR CLUSTERS; OXIDATION; SOLVATION; TEMPERATURE RANGE 0273-0400 K; VARIATIONS; ALKALINE EARTH METAL COMPOUNDS; ALKALINE EARTH METALS; CHEMICAL REACTIONS; ELEMENTS; HYDROGEN COMPOUNDS; HYDROXIDES; MAGNESIUM COMPOUNDS; METALS; OXYGEN COMPOUNDS; TEMPERATURE RANGE; 400201* - Chemical & Physicochemical Properties

Citation Formats

Harms, A.C., Khanna, S.N., Chen, B., and Castleman, A.W. Jr.. Dehydrogenation reactions in Mg[sup +](H[sub 2]O)[sub [ital n]] clusters. United States: N. p., 1994. Web. doi:10.1063/1.466396.
Harms, A.C., Khanna, S.N., Chen, B., & Castleman, A.W. Jr.. Dehydrogenation reactions in Mg[sup +](H[sub 2]O)[sub [ital n]] clusters. United States. doi:10.1063/1.466396.
Harms, A.C., Khanna, S.N., Chen, B., and Castleman, A.W. Jr.. Tue . "Dehydrogenation reactions in Mg[sup +](H[sub 2]O)[sub [ital n]] clusters". United States. doi:10.1063/1.466396.
@article{osti_5246396,
title = {Dehydrogenation reactions in Mg[sup +](H[sub 2]O)[sub [ital n]] clusters},
author = {Harms, A.C. and Khanna, S.N. and Chen, B. and Castleman, A.W. Jr.},
abstractNote = {Experimental observations of the effects of solvation on the dehydrogenation reaction of Mg[sup +](H[sub 2]O)[sub [ital n]] to produce MgOH[sup +](H[sub 2]O)[sub [ital n][minus]1] are presented for [ital n][le]6. The reaction is seen to occur spontaneously at room temperature for [ital n][gt]4. Ligand switching reactions are used to show the Mg[sup +]--OH bonds are stronger than Mg[sup +]H[sub 2]O bonds. The results show the energy required to lose an H atom decreases with the number of water molecules attached because the magnesium changes oxidation state and this results in stronger interactions with the water ligands. [ital Ab] [ital initio] calculations are used to explain these observations.},
doi = {10.1063/1.466396},
journal = {Journal of Chemical Physics; (United States)},
issn = {0021-9606},
number = ,
volume = 100:5,
place = {United States},
year = {1994},
month = {3}
}