Completing the 3d metal fluoride series: The pure rotational spectrum of ZnF (X2+)

M. A. Flory, S. K. McLamarrah, Lucy M Ziurys

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

The pure rotational spectrum of the ZnF radical has been recorded in the range of 176-527 GHz using millimeter/submillimeter direct absorption techniques. This study is the first gas-phase spectroscopic investigation of this species. Between 5 and 11 transitions were measured for each of five isotopologues of this radical (Zn64 F, Zn66 F, Zn67 F, Zn68 F, and Zn70 F) in the ground and several excited vibrational (v=1, 2, and 3) states. Each transition consists of spin-rotation doublets with a splitting of ∼150 MHz, indicating that the electronic ground state of ZnF is +2, as predicted by theory. Fluorine hyperfine splitting was observed in three isotopologues (Zn64 F, Zn66 F, and Zn67 F), and hyperfine structure from the zinc-67 nucleus (I=52) was additionally resolved in Zn67 F. Rotational, fine structure, and F19 and Zn67 hyperfine constants were determined for ZnF, as well as equilibrium parameters. The bond length of the main isotopologue Zn64 F was calculated to be re =1.7677 Å. Evaluation of the hyperfine constants indicates that the orbital containing the unpaired electron is ∼80% 4s (Zn) in character with ∼10% contributions from each of the 2p (F) and 4p (Zn) orbitals. These results imply that ZnF is somewhat less ionic than CaF, as suggested by theory.

Original languageEnglish (US)
Article number194304
JournalThe Journal of Chemical Physics
Volume125
Issue number19
DOIs
StatePublished - 2006

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metal fluorides
Fluorine
rotational spectra
Bond length
Fluorides
Ground state
Zinc
Gases
Metals
orbitals
Electrons
hyperfine structure
fluorine
zinc
fine structure
vapor phases
nuclei
ground state
evaluation
electronics

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Completing the 3d metal fluoride series : The pure rotational spectrum of ZnF (X2+). / Flory, M. A.; McLamarrah, S. K.; Ziurys, Lucy M.

In: The Journal of Chemical Physics, Vol. 125, No. 19, 194304, 2006.

Research output: Contribution to journalArticle

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