A simple single configuration description for the [18.1]1Σ and X 1Σ states of RuC is proposed. This description correctly predicts the qualitative trends in the dipole moments and hyperfine interactions. Within the confines of the limited database available, the quantum chemical predictions for dipole moments of the 4d series of monocarbides appears to be more reliable than those for the 3d monocarbides.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry