Source:http://linkedlifedata.com/resource/pubmed/id/21599037
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
19
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| pubmed:dateCreated |
2011-5-23
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| pubmed:abstractText |
The entrance channel potentials of the prototypical polyatomic reaction family X + CH(4) ? HX + CH(3) (X = F, Cl, Br, I) are investigated using anion photoelectron spectroscopy and high-level ab initio electronic structure computations. The pre-reactive van der Waals (vdW) wells of these reactions are probed for X = Cl, Br, I by photodetachment spectra of the corresponding X(-)-CH(4) anion complex. For F-CH(4), a spin-orbit splitting (?1310 cm(-1)) much larger than that of the F atom (404 cm(-1)) was observed, in good agreement with theory. This showed that in the case of the F-CH(4) system the vertical transition from the anion ground state to the neutral potentials accesses a region between the vdW valley and transition state of the early-barrier F + CH(4) reaction. The doublet splittings observed in the other halogen complexes are close to the isolated atomic spin-orbit splittings, also in agreement with theory.
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| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:status |
PubMed-not-MEDLINE
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| pubmed:month |
May
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| pubmed:issn |
1089-7690
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| pubmed:author | |
| pubmed:copyrightInfo |
© 2011 American Institute of Physics.
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| pubmed:issnType |
Electronic
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| pubmed:day |
21
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| pubmed:volume |
134
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| pubmed:owner |
NLM
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| pubmed:authorsComplete |
Y
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| pubmed:pagination |
191102
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| pubmed:year |
2011
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| pubmed:articleTitle |
Communication: probing the entrance channels of the X+CH4?HX+CH3 (X = F, Cl, Br, I) reactions via photodetachment of X(-)-CH4.
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| pubmed:affiliation |
National Laboratory of Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
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| pubmed:publicationType |
Journal Article
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