The pure rotational spectrum of the ZnBr radical (X2Σ+): Trends in the zinc halide series
AffiliationUniv Arizona, Dept Astron, Dept Chem & Biochem
Univ Arizona, Steward Observ
MetadataShow full item record
PublisherAMER INST PHYSICS
CitationJ. Chem. Phys. 150, 034303 (2019); https://doi.org/10.1063/1.5079396
JournalJOURNAL OF CHEMICAL PHYSICS
Rights© 2019 Author(s).
Collection InformationThis 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 email@example.com.
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.
Note12 month embargo; published online: 16 January 2019
VersionFinal published version
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