The pure rotational spectrum of CaNC

C. T. Scurlock, Timothy Steimle, R. D. Suenram, F. J. Lovas

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Abstract

The pure rotational spectrum of calcium isocyanide, CaNC, in its (0,0,0) X 2Σ+ vibronic state was measured using a combination of Fourier transform microwave (FTMW) and pump/probe microwave-optical double resonance (PPMODR) spectroscopy. Gaseous CaNC was generated using a laser ablation/supersonic expansion source. The determined spectroscopic parameters are (in MHz), B=4048.754 332 (29); γ = 18.055 06 (23); bF = 12.481 49 (93); c=2.0735 (14); and eQq0 = -2.6974 (11). The hyperfine parameters are qualitatively interpreted in terms of a plausible molecular orbital descriptions and a comparison with the alkaline earth monohalides and the alkali monocyanides is given.

Original languageEnglish (US)
Pages (from-to)3497-3502
Number of pages6
JournalThe Journal of chemical physics
Volume100
Issue number5
DOIs
StatePublished - Jan 1 1994

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ASJC Scopus subject areas

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

Cite this

Scurlock, C. T., Steimle, T., Suenram, R. D., & Lovas, F. J. (1994). The pure rotational spectrum of CaNC. The Journal of chemical physics, 100(5), 3497-3502. https://doi.org/10.1063/1.466391