Linked Life Data

20450164

Source:http://linkedlifedata.com/resource/pubmed/id/20450164

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
11
pubmed:dateCreated
2010-6-1
pubmed:abstractText
The mechanism, rate constant, and activation parameters for the exchange between uranyl(VI) oxygen and water oxygen in tetramethyl ammonium hydroxide solution, TMA-OH, have been determined using (17)O NMR magnetization transfer technique. In the concentration range investigated, the predominant complex is UO(2)(OH)(4)(2-). The experimental rate equation, rate = k(ex)[TMA-OH](free)[U(VI)](2)(total) indicates that the exchange takes place via a binuclear complex or transition state with the stoichiometry [(UO(2)(OH)(4)(2-))(UO(2)(OH)(5)(3-)]. The rate-determining step most likely takes place between the axial "yl" oxygens and the equatorial hydroxides. The experimental Gibbs energy of activation, DeltaG(++) = 60.8 +/- 2.4 kJ/mol is in good agreement with the value, DeltaA(++) approximately DeltaG(++) = 52.3 +/- 5.4 kJ/mol, found by Buhl and Schreckenbach in a recent Car-Parrinello molecular dynamics study, indicating that their proposed "shuttle" mechanism may be applicable also on the proposed binuclear transition state.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jun
pubmed:issn
1520-510X
pubmed:author
pubmed:issnType
Electronic
pubmed:day
7
pubmed:volume
49
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
4928-33
pubmed:meshHeading
pubmed:year
2010
pubmed:articleTitle
On the mechanism of oxygen exchange between uranyl(VI) oxygen and water in strongly alkaline solution as studied by (17)O NMR magnetization transfer.
pubmed:affiliation
School of Chemical Science and Engineering, Department of Chemistry, Royal Institute of Technology (KTH), S-10044 Stockholm, Sweden. zoltan@kth.se
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't