Source:http://linkedlifedata.com/resource/pubmed/id/21033782
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
16
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| pubmed:dateCreated |
2010-11-1
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| pubmed:abstractText |
Angular distributions of N 1s photoelectrons from fixed-in-space NO(2) molecules have been measured over the energy region of shape resonance and above. A multiple-coincidence velocity-map imaging technique for observation of molecular frame photoelectron angular distributions (MF-PADs) has been extended to nonlinear molecular targets. Density functional theory calculations have also been conducted to elucidate the photoionization dynamics and shape resonance in the N 1s photoionization of NO(2). Results show that the N 1s MF-PADs exhibit strong shape variation as a function of both photoelectron kinetic energy and symmetries of final states, whereas asymmetry parameters of laboratory frame PADs show a local minimum around the shape resonance region and increase monotonically as the photon energy increases. Over the shape resonance, the spatial shape of the photoelectron wave function with b(2)-symmetry closely resembles that of 5b(2)(?) unoccupied molecular orbital of NO(2), although the MF-PAD pattern for b(2)-symmetry does not correspond directly to the 5b(2)(?) orbital shape. At higher kinetic energy of 90 eV, MF-PADs become less structured, but still show a significant dependence on the symmetry of final states.
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| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:status |
PubMed-not-MEDLINE
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| pubmed:month |
Oct
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| pubmed:issn |
1089-7690
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| pubmed:author | |
| pubmed:issnType |
Electronic
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| pubmed:day |
28
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| pubmed:volume |
133
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| pubmed:owner |
NLM
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| pubmed:authorsComplete |
Y
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| pubmed:pagination |
164301
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| pubmed:year |
2010
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| pubmed:articleTitle |
N 1s photoelectron angular distributions from fixed-in-space NO2 molecules: stereodynamics and symmetry considerations.
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| pubmed:affiliation |
Photon Factory, Institute of Materials Structure Science, KEK, Oho 1-1, Tsukuba 305-0801, Japan.
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| pubmed:publicationType |
Journal Article
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