Source:http://linkedlifedata.com/resource/pubmed/id/16942145
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
4
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| pubmed:dateCreated |
2006-8-31
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| pubmed:abstractText |
The infrared spectrum of mass selected Li(+)-D(2) cations is recorded in the D-D stretch region (2860-2950 cm(-1)) in a tandem mass spectrometer by monitoring Li(+) photofragments. The D-D stretch vibration of Li(+)-D(2) is shifted by -79 cm(-1) from that of the free D(2) molecule indicating that the vibrational excitation of the D(2) subunit strengthens the effective Li(+)cdots, three dots, centeredD(2) intermolecular interaction. Around 100 rovibrational transitions, belonging to parallel K(a)=0-0, 1-1, and 2-2 subbands, are fitted to a Watson A-reduced Hamiltonian to yield effective molecular parameters. The infrared spectrum shows that the complex consists of a Li(+) ion attached to a slightly perturbed D(2) molecule with a T-shaped equilibrium configuration and a 2.035 A vibrationally averaged intermolecular separation. Comparisons are made between the spectroscopic data and data obtained from rovibrational calculations using a recent three dimensional Li(+)-D(2) potential energy surface [R. Martinazzo, G. Tantardini, E. Bodo, and F. Gianturco, J. Chem. Phys. 119, 11241 (2003)].
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| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:status |
PubMed-not-MEDLINE
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| pubmed:month |
Jul
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| pubmed:issn |
0021-9606
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| pubmed:author | |
| pubmed:issnType |
Print
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| pubmed:day |
28
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| pubmed:volume |
125
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| pubmed:owner |
NLM
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| pubmed:authorsComplete |
Y
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| pubmed:pagination |
44310
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| pubmed:year |
2006
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| pubmed:articleTitle |
Rotationally resolved infrared spectrum of the Li+-D2 cation complex.
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| pubmed:affiliation |
School of Chemistry, University of Melbourne, Melbourne 3010, Australia.
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| pubmed:publicationType |
Journal Article
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