The Fourier transform microwave spectrum of YC2 (X ̃ 2 A 1) and its 13C isotopologues: Chemical insight into metal dicarbides

D. T. Halfen, J. Min, Lucy M Ziurys

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Abstract

The Fourier transform microwave spectrum of YC2 (X̃2A1) and its 13C isotopologues has been measured in the 10-57 GHz range, the first FTMW study of a metal dicarbide species. The molecule was created from yttrium vapor and CH4 in argon in a supersonic jet with a discharge-assisted laser ablation source (DALAS). Rotational, fine structure, and Y and 13C hyperfine constants were determined for each isotopologue. The calculated rm(1) structure is r(Y-C) = 2.187(4) Å, r(C-C) = 1.270(4) Å, and θ(C-Y-C) = 33.74(7)°. The hyperfine parameters indicate that the unpaired electron resides principally in an sd hybridized orbital on the yttrium nucleus.

Original languageEnglish (US)
Pages (from-to)31-37
Number of pages7
JournalChemical Physics Letters
Volume555
DOIs
Publication statusPublished - Jan 3 2013

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ASJC Scopus subject areas

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

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