Fourier transform microwave spectroscopy of LiCCH, NaCCH, and KCCH: Quadrupole hyperfine interactions in alkali monoacetylides

P. M. Sheridan, M. K.L. Binns, M. Sun, J. Min, M. P. Bucchino, D. T. Halfen, L. M. Ziurys

Research output: Contribution to journalArticle

10 Scopus citations

Abstract

The alkali metal monoacetylides LiCCH, NaCCH, and KCCH and their deuterium isotopologues have been investigated using Fourier transform microwave (FTMW) spectroscopy in the frequency range 5-37 GHz. The molecules were synthesized in a supersonic expansion by the reaction of metal vapor, produced by laser ablation, with acetylene or DCCD. Use of target rods of the pure metal and a DC discharge immediately following the laser interaction region were significant factors in molecule production. Multiple rotational transitions were recorded for all species, except where only the J = 1 → 0 line was accessible (Li species). Quadrupole hyperfine interactions arising from the metal nuclei were resolved in each molecule, as well as those from the deuterium nucleus in the deuterated isotopologues. From a combined analysis with previous millimeter-wave data, refined rotational constants were determined for these species, as well as 7Li, 23Na, 39K, and D eQq parameters. The values of the metal quadrupole coupling constants are comparable to those of the alkali halides and hydroxides, indicating a similar degree of ionic character in the metal-ligand bond.

Original languageEnglish (US)
Pages (from-to)231-235
Number of pages5
JournalJournal of Molecular Spectroscopy
Volume269
Issue number2
DOIs
StatePublished - Oct 1 2011

Keywords

  • Discharge assisted
  • Fourier transform microwave spectroscopy
  • Laser ablation
  • Metal acetylides
  • Quadrupole coupling constants

ASJC Scopus subject areas

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

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