The pure rotational spectrum of ZnCl (X2Σ+)

Variations in zinc halide bonding

E. D. Tenenbaum, M. A. Flory, R. L. Pulliam, Lucy M Ziurys

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

The radical ZnCl (X2Σ+) has been studied using millimeter-wave direct-absorption techniques. Pure rotational spectra of 67Zn35Cl, 66Zn37Cl, 68Zn35Cl, 64Zn35Cl, 64Zn37Cl, and 66Zn35Cl were measured in the vibrational ground state and data were also recorded for the latter three in the v = 1 and v = 2 states. Every rotational transition was found to be split into a doublet due to spin-rotation interactions. For 67Zn35Cl, each doublet exhibited additional splittings arising from hyperfine coupling of the 67Zn (I = 5/2) nucleus. Rotational, fine structure, and hyperfine constants have been determined from these data, and equilibrium parameters calculated. The equilibrium bond length of 64Zn35Cl is found to be 2.13003305(24) Å, in good agreement with recent theoretical predictions. Interpretation of hyperfine constants indicates that the 12σ orbital is ∼70% Zn(4s) in character, suggesting that the zinc chloride bond is relatively ionic.

Original languageEnglish (US)
Pages (from-to)153-159
Number of pages7
JournalJournal of Molecular Spectroscopy
Volume244
Issue number2
DOIs
StatePublished - Aug 2007

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rotational spectra
Bond length
Millimeter waves
Ground state
halides
Zinc
zinc
zinc chlorides
millimeter waves
fine structure
orbitals
nuclei
ground state
predictions
interactions
zinc chloride

Keywords

  • Hyperfine structure
  • Microwave spectroscopy
  • Rotational spectroscopy
  • Zinc chloride (ZnCl)

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

The pure rotational spectrum of ZnCl (X2Σ+) : Variations in zinc halide bonding. / Tenenbaum, E. D.; Flory, M. A.; Pulliam, R. L.; Ziurys, Lucy M.

In: Journal of Molecular Spectroscopy, Vol. 244, No. 2, 08.2007, p. 153-159.

Research output: Contribution to journalArticle

Tenenbaum, E. D. ; Flory, M. A. ; Pulliam, R. L. ; Ziurys, Lucy M. / The pure rotational spectrum of ZnCl (X2Σ+) : Variations in zinc halide bonding. In: Journal of Molecular Spectroscopy. 2007 ; Vol. 244, No. 2. pp. 153-159.
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