Linked Life Data

18688387

Source:http://linkedlifedata.com/resource/pubmed/id/18688387

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
26
pubmed:dateCreated
2008-8-8
pubmed:abstractText
One-photon mass-analyzed threshold ionization (MATI) spectroscopy of jet-cooled oxazole and thiazole has been carried out to give the precise adiabatic ionization energies of 9.5959+/-0.0006 and 9.3633+/-0.0009 eV, respectively. The structural change upon ionization has been revealed in the vibrationally resolved one-photon MATI spectra. Simulations based on the Franck-Condon analysis using the molecular structures calculated by the density functional theory reproduce the experiment very well for both molecules. The ionization-driven structural change of thiazole is quite different from that of oxazole in terms of the detailed geometrical shape, ascribed to the difference in the pi-conjugation nature of two molecules. The role of oxygen and sulfur in the stabilization of heterocyclic systems is discussed through the inspection of the calculated molecular orbitals involved in the photoionization.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jul
pubmed:issn
1463-9076
pubmed:author
pubmed:issnType
Print
pubmed:day
14
pubmed:volume
10
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
3883-7
pubmed:meshHeading
pubmed:year
2008
pubmed:articleTitle
One-photon ionization spectroscopy of jet-cooled oxazole and thiazole: the role of oxygen and sulfur in the pi-conjugation of heterocyclic compounds.
pubmed:affiliation
Department of Chemistry and School of Molecular Sciences (BK21), KAIST, Daejeon, (301-750), Republic of Korea.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't