Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/5107
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dc.contributorDepartment of Applied Biology and Chemical Technology-
dc.creatorSun, Z-
dc.creatorWang, D-
dc.creatorDing, R-
dc.creatorGe, M-
dc.creatorWang, D-
dc.creatorChau, FT-
dc.creatorMok, DKW-
dc.date.accessioned2014-12-11T08:29:06Z-
dc.date.available2014-12-11T08:29:06Z-
dc.identifier.issn0021-9606-
dc.identifier.urihttp://hdl.handle.net/10397/5107-
dc.language.isoenen_US
dc.publisherAmerican Institute of Physicsen_US
dc.rights© 2003 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 Z. Sun et al., J. Chem. Phys. 119, 293 (2003) and may be found at http://link.aip.org/link/?jcp/119/293.en_US
dc.subjectOrganic compoundsen_US
dc.subjectFree radicalsen_US
dc.subjectGround statesen_US
dc.subjectPyrolysisen_US
dc.subjectPhotoelectron spectraen_US
dc.subjectIonisation potentiaen_US
dc.subjectDensity functional theoryen_US
dc.titleThe diradical (CH₃)₂CHN and its isomeric molecule (CH₃)₂C=HN : generation and characterizationen_US
dc.typeJournal/Magazine Articleen_US
dc.description.otherinformationAuthor name used in this publication: D. K. W. Moken_US
dc.identifier.spage293-
dc.identifier.epage299-
dc.identifier.volume119-
dc.identifier.issue1-
dc.identifier.doi10.1063/1.1577316-
dcterms.abstractA continuously flowing (CH₃)₂CHN beam is generated by pyrolysis of (CH₃)₂CHN₃at 113(±0.5)°C using normal inlet system with an 8 mm bore of the exit of the quartz tube under the presence of molecular sieve (30 Å) and stabilizing NO gas, and its HeI photoelectron (PE) spectrum is also recorded in situ. A spectrum recorded further away from the pyrolysis catalyst or by using a 0.4 mm bore of the quartz tube is the PE spectrum of (CH₃)₂=NH, which comes from the isomerization of (CH₃)₂CHN. The ionization energies of (CH₃)₂CHN and (CH₃)₂C=NH are determined for the first time by the photoelectron spectroscopy experiment, and Gaussian 2 and improved density functional theory calculations. Experimental and theoretical results agree reasonably well, and show that (CH₃)₂CHN is a diradical with C[sub s] symmetry and has a³A" ground state, and (CH₃)₂C=NH is a closed shell molecule with C[sub s] symmetry.-
dcterms.accessRightsopen accessen_US
dcterms.bibliographicCitationJournal of chemical physics, 1 July 2003, v. 119, no. 1, p. 293-299-
dcterms.isPartOfJournal of chemical physics-
dcterms.issued2003-07-01-
dc.identifier.isiWOS:000183585400034-
dc.identifier.scopus2-s2.0-0037769961-
dc.identifier.eissn1089-7690-
dc.identifier.rosgroupidr11874-
dc.description.ros2002-2003 > Academic research: refereed > Publication in refereed journal-
dc.description.oaVersion of Recorden_US
dc.identifier.FolderNumberOA_IR/PIRAen_US
dc.description.pubStatusPublisheden_US
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