The pure rotational spectrum of the CrS radical in its X 5Πr state

R. L. Pulliam, Lucy M Ziurys

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The pure rotational spectrum of the CrS radical has been measured in its ground X 5Πr state using gas-phase millimeter/ submillimeter direct absorption methods. The molecule was created by the reaction of chromium vapor, sublimed in a Broida-type oven, with hydrogen sulfide. Eleven rotational transitions were recorded for this free radical in the frequency range of 280-405 GHz; in most transitions, all five spin components were observed, and lambda-doubling was resolved in the Ω=0, 1, and 2 ladders. The data were fit with a Hund's case (a) Hamiltonian and rotational, spin-orbit, spin-spin, and lambda-doubling constants were established. Higher order spin and spin-orbit terms were essential in the analysis. The lambda-doubling constants indicate a nearby 5∑ + state at an energy of ∼1500-2000 cm-1. A bond length of 2.0781 Å was derived for CrS from the data, which is larger than the value of 2.0682 Å found for MnS by ∼0.01 Å. In contrast, the bond distance for MnO is greater than that of CrO by 0.03 Å, an illustration of the subtle differences between 3d oxide and sulfides. CrS is the second molecule in a 5Π state that has been studied by rotational spectroscopy.

Original languageEnglish (US)
Article number174313
JournalThe Journal of Chemical Physics
Volume133
Issue number17
DOIs
StatePublished - Nov 7 2010

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rotational spectra
Orbits
Hamiltonians
Hydrogen Sulfide
Molecules
Ladders
Bond length
Sulfides
Chromium
Ovens
Oxides
Free Radicals
Gases
Vapors
Spectroscopy
orbits
hydrogen sulfide
ovens
ladders
free radicals

ASJC Scopus subject areas

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

Cite this

The pure rotational spectrum of the CrS radical in its X 5Πr state. / Pulliam, R. L.; Ziurys, Lucy M.

In: The Journal of Chemical Physics, Vol. 133, No. 17, 174313, 07.11.2010.

Research output: Contribution to journalArticle

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