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.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry