Linked Life Data

17602541

Source:http://linkedlifedata.com/resource/pubmed/id/17602541

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
30
pubmed:dateCreated
2007-7-26
pubmed:abstractText
Intramolecular hydrogen atom tunneling in 2-chlorobenzoic acid has been investigated by low-temperature matrix-isolation infrared spectroscopy with the aid of density functional theory calculation. Infrared spectra of two relatively stable syn isomers, SC and ST, were observed in argon and xenon matrixes. When the matrix samples were annealed after deposition, the isomerization from ST to SC occurred around the benzene-carboxyl bond. Two less stable anti isomers, AT, which has an OH...Cl intramolecular hydrogen bond, and AC, which has no OH...Cl bond, were produced from SC and ST upon UV irradiation. When the matrix samples were kept in the dark after UV irradiation, AT and AC changed to ST and SC, respectively, by spontaneous isomerization around the C-O axis in the carboxyl group. The rate constants of isomerization, AT --> ST, in a Xe matrix were estimated from the absorbance changes at various matrix temperatures. The rate constants showed a drastic decrease in deuteration of the hydrogen atom of the carboxyl group. The relationship between the rate constants and the matrix temperature did not follow the Arrhenius law. These findings lead to the conclusion that the isomerization of AT --> ST and AC --> SC in low-temperature rare-gas matrixes proceeds through intramolecular hydrogen atom tunneling.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Aug
pubmed:issn
1089-5639
pubmed:author
pubmed:issnType
Print
pubmed:day
2
pubmed:volume
111
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
7041-7
pubmed:meshHeading
pubmed:year
2007
pubmed:articleTitle
Intramolecular hydrogen atom tunneling in 2-chlorobenzoic acid studied by low-temperature matrix-isolation infrared spectroscopy.
pubmed:affiliation
Graduate School of BASE (Bio-Applications and Systems Engineering), Tokyo University of Agriculture and Technology, Naka-cho, Koganei, Tokyo 184-8588, Japan.
pubmed:publicationType
Journal Article