DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, Bongsoo | ko |
dc.contributor.author | HUNTER, PL | ko |
dc.contributor.author | JOHNSTON, HS | ko |
dc.date.accessioned | 2013-02-24T11:03:17Z | - |
dc.date.available | 2013-02-24T11:03:17Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 1992-03 | - |
dc.identifier.citation | JOURNAL OF CHEMICAL PHYSICS, v.96, no.6, pp.4057 - 4067 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.uri | http://hdl.handle.net/10203/56684 | - |
dc.description.abstract | The fluorescence emission spectra of NO3 excited at 14 742, 15 109, 15 882, 16 053, and 16 555 cm-1 are reported. On the basis of fundamentals, overtones, and combination of five vibrational frequencies (368, 753, 1053, 1500, and 2010 cm-1) we assign 18 out of 20 observed bands. The fluorescence bands exhibit two different shapes, one shows a sharp spike overlapped with a broadband, and the other shows a broadband only. From the literature we obtain a potential-energy surface that has D3h symmetry with three identical shallow minima, each representative of a local C2-upsilon structure and located with threefold symmetry around the central axis. Such a potential-energy function can split degenerate D3h vibrational modes, giving "pseudorotations," as a structure with one long and two short bonds permutes around the three minima. On the time scale of molecular rotations, vibrational motions average over the three local C2-upsilon structures to give D3h structure and rotational spectra. This model qualitatively explains both the five fundamental frequencies observed by fluorescence and the definite D3h properties of high-resolution infrared spectra. We suggest that a molecular theoretical model with fine spatial resolution sees the miniwells and reports C2-upsilon as minimum-energy structure, but a model with less fine resolution overlooks the three shallow minima and reports the larger-scale D3h structure. | - |
dc.language | English | - |
dc.publisher | AMER INST PHYSICS | - |
dc.subject | VIBRATIONAL-SPECTRA | - |
dc.subject | ABINITIO | - |
dc.subject | STATE | - |
dc.subject | BAND | - |
dc.subject | SPECTROSCOPY | - |
dc.subject | GEOMETRY | - |
dc.title | NO3 RADICAL STUDIED BY LASER-INDUCED FLUORESCENCE | - |
dc.type | Article | - |
dc.identifier.wosid | A1992HK01900001 | - |
dc.identifier.scopusid | 2-s2.0-36449005217 | - |
dc.type.rims | ART | - |
dc.citation.volume | 96 | - |
dc.citation.issue | 6 | - |
dc.citation.beginningpage | 4057 | - |
dc.citation.endingpage | 4067 | - |
dc.citation.publicationname | JOURNAL OF CHEMICAL PHYSICS | - |
dc.identifier.doi | 10.1063/1.461861 | - |
dc.contributor.localauthor | Kim, Bongsoo | - |
dc.contributor.nonIdAuthor | HUNTER, PL | - |
dc.contributor.nonIdAuthor | JOHNSTON, HS | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | VIBRATIONAL-SPECTRA | - |
dc.subject.keywordPlus | ABINITIO | - |
dc.subject.keywordPlus | STATE | - |
dc.subject.keywordPlus | BAND | - |
dc.subject.keywordPlus | SPECTROSCOPY | - |
dc.subject.keywordPlus | GEOMETRY | - |
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