The pure rotational spectrum of the ZnBr radical (X2Σ+)

Trends in the zinc halide series

M. A. Burton, Lucy M Ziurys

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The 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.

Original languageEnglish (US)
Article number034303
JournalJournal of Chemical Physics
Volume150
Issue number3
DOIs
StatePublished - Jan 21 2019

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rotational spectra
halides
Zinc
zinc
trends
Hamiltonians
Argon
Bond length
Millimeter waves
Discharge (fluid mechanics)
Free Radicals
Vapors
vibrational states
free radicals
millimeter waves
reagents
frequency ranges
direct current
argon
vapors

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

The pure rotational spectrum of the ZnBr radical (X2Σ+) : Trends in the zinc halide series. / Burton, M. A.; Ziurys, Lucy M.

In: Journal of Chemical Physics, Vol. 150, No. 3, 034303, 21.01.2019.

Research output: Contribution to journalArticle

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