Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/5101
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dc.contributorDepartment of Applied Biology and Chemical Technology-
dc.creatorLozeille, J-
dc.creatorDaire, SE-
dc.creatorGamblin, SD-
dc.creatorWright, TG-
dc.creatorLee, EPF-
dc.date.accessioned2014-12-11T08:28:53Z-
dc.date.available2014-12-11T08:28:53Z-
dc.identifier.issn0021-9606-
dc.identifier.urihttp://hdl.handle.net/10397/5101-
dc.language.isoenen_US
dc.publisherAmerican Institute of Physicsen_US
dc.rights© 2000 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in J. Lozeille et al., J. Chem. Phys. 113, 10952 (2000) and may be found at http://link.aip.org/link/?jcp/113/10952.en_US
dc.subjectNitrogen compoundsen_US
dc.subjectAb initio calculationsen_US
dc.subjectPhotoionisationen_US
dc.subjectMultiphoton processesen_US
dc.subjectUltraviolet spectraen_US
dc.titleThe à ← X˜ (1+1)REMPI spectrum and high-level ab initio calculations of the complex between NO and N₂en_US
dc.typeJournal/Magazine Articleen_US
dc.description.otherinformationAuthor name used in this publication: Stuart D. Gamblinen_US
dc.identifier.spage10952-
dc.identifier.epage10961-
dc.identifier.volume113-
dc.identifier.issue24-
dc.identifier.doi10.1063/1.1326068-
dcterms.abstractThe results of two separate studies of the complex between NO and N₂ are reported. The (1+1) REMPI spectrum of the à ← X˜ transition of the complex between NO and N₂ is presented of improved quality over that reported previously, and the appearance of the spectrum is discussed. The results of high-level ab initio calculations [RCCSD(T)/aug-cc-pVQZ//QCISD/6-311+G(2d)] on the X˜² II state are also reported. The indications are that the NO moiety is more freely rotating in the complex than is N₂, and that a wide angular space is sampled in the zero-point energy level. The appearance of the REMPI spectrum suggests that the à ² Σ⁺ state is (close to) linear, and RCCSD(T)//QCISD calculations on the à state, using Rydberg-function-augmented basis sets, suggest that the lowest energy linear isomer is the ON. N₂linear orientation. It is clear, however, that the understanding of this complex, and its spectroscopy, is far from complete, and will be challenging.-
dcterms.accessRightsopen accessen_US
dcterms.bibliographicCitationJournal of chemical physics, 22 Dec. 2000, v. 113, no. 24, p. 10952-10961-
dcterms.isPartOfJournal of chemical physics-
dcterms.issued2000-12-22-
dc.identifier.isiWOS:000165841300014-
dc.identifier.scopus2-s2.0-0034510130-
dc.identifier.eissn1089-7690-
dc.description.oaVersion of Recorden_US
dc.identifier.FolderNumberOA_IR/PIRAen_US
dc.description.pubStatusPublisheden_US
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