Source:http://linkedlifedata.com/resource/pubmed/id/21033788
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| Predicate | Object |
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| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
16
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| pubmed:dateCreated |
2010-11-1
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| pubmed:abstractText |
We report joint experimental and theoretical studies of outcomes resulting from the nonreactive quenching of electronically excited OD?A? (2)?(+) by H(2). The experiments utilize a pump-probe technique to detect the OD?X? (2)? product state distribution under single collision conditions. The OD?X ?(2)? products are observed primarily in their lowest vibrational state (v(") = 0) with substantially less population in v(") = 1. The OD?X? (2)? products are generated with a high degree of rotational excitation, peaking at N(") = 21 with an average rotational energy of 4600 cm(-1), and a strong propensity for populating the ?(A(')) ?-doublet component indicative of alignment of the half-filled p? orbital in the plane of OD rotation. Branching fraction measurements show that the nonreactive channel accounts for less than 20% of quenching outcomes. Complementary classical trajectory calculations of the postquenching dynamics are initiated from representative points along seams of conical intersections between the ground and excited-state potentials of OD(A? (2)?(+),X? (2)?) + H(2). Diabatic modeling of the initial momenta in the dynamical calculations captures the key experimental trends: OD?X ?(2)? products released primarily in their ground vibrational state with extensive rotational excitation and a branching ratio that strongly favors reactive quenching. The OD?A? (2)?(+) + H(2) results are also compared with previous studies on the quenching of OH?A ?(2)?(+) + H(2); the two experimental studies show remarkably similar rotational energy distributions for the OH and OD?X ?(2)? radical products.
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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 |
164307
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| pubmed:year |
2010
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| pubmed:articleTitle |
Collisional quenching of OD A 2?+ by H2: experimental and theoretical studies of the state-resolved OD X 2? product distribution and branching fraction.
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| pubmed:affiliation |
Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, USA.
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| pubmed:publicationType |
Journal Article
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