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dc.contributor.authorBurton, M A
dc.contributor.authorZiurys, L M
dc.date.accessioned2019-06-05T16:35:51Z
dc.date.available2019-06-05T16:35:51Z
dc.date.issued2019-01-21
dc.identifier.citationJ. Chem. Phys. 150, 034303 (2019); https://doi.org/10.1063/1.5079396en_US
dc.identifier.issn1089-7690
dc.identifier.pmid30660147
dc.identifier.doi10.1063/1.5079396
dc.identifier.urihttp://hdl.handle.net/10150/632496
dc.description.abstractThe pure rotational spectrum of ZnBr (X2Σ+) has been recorded in the frequency range 259-310 GHz using millimeter-wave direct absorption techniques. This study is the first quantitative spectroscopic investigation of this free radical. ZnBr was synthesized in a DC discharge by the reaction of zinc vapor in argon with one of three reagents: BrCH3, Br2CH2, or Br2. Eight rotational transitions were measured for six isotopologues (64Zn79Br, 64Zn81Br, 66Zn79Br, 66Zn81Br, 68Zn79Br, and 68Zn81Br), all of which exhibited spin-rotation interactions. Furthermore, transitions originating in the v = 1 through 3 excited vibrational states were obtained for certain isotopologues. Five rotational transitions were also recorded for 67Zn79Br, in which hyperfine splittings were observed arising from the 67Zn nucleus (I = 5/2). The spectra were analyzed using a Hund's case (bβJ) Hamiltonian, and rotational, spin-rotation, and 67Zn magnetic hyperfine constants were determined. Equilibrium parameters were also derived for the 64Zn79Br, 64Zn81Br, 66Zn79Br, and 66Zn81Br isotopologues, including the vibrational constant, ωe = 286 cm-1. The equilibrium bond length was derived to be re = 2.268 48(90) Å. Analysis of the 67Zn hyperfine parameters suggest a decrease in ionic character in ZnBr from the other known zinc halides, ZnF and ZnCl.en_US
dc.description.sponsorshipNSF [CHE-1565765]en_US
dc.language.isoenen_US
dc.publisherAMER INST PHYSICSen_US
dc.relation.urlhttps://aip.scitation.org/doi/10.1063/1.5079396en_US
dc.rights© 2019 Author(s).en_US
dc.titleThe pure rotational spectrum of the ZnBr radical (X2Σ+): Trends in the zinc halide seriesen_US
dc.typeArticleen_US
dc.contributor.departmentUniv Arizona, Dept Astron, Dept Chem & Biochemen_US
dc.contributor.departmentUniv Arizona, Steward Observen_US
dc.identifier.journalJOURNAL OF CHEMICAL PHYSICSen_US
dc.description.note12 month embargo; published online: 16 January 2019en_US
dc.description.collectioninformationThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.en_US
dc.eprint.versionFinal published versionen_US
dc.source.journaltitleThe Journal of chemical physics


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