The  = 1 ←  = 0 and  = 2 ←  = 1 rotational transitions of ruthenium monocarbide, RuC, have been recorded using the separated field pump/probe microwave optical double resonance technique and analyzed to determine the fine and hyperfine parameters for the  1Σ+ state. The101Ru(I = 5/2) electric quadrupole parameter,   , and nuclear spin-rotation interactionparameter, CeffI , were determined to be 433.19(8) MHz and −0.049(6) MHz, respectively. The equilibrium bond distance,  , was determined to be 1.605485(2) Å. Hartree-Fock and coupled-cluster calculations were carried out for the properties of the  1Σ+ state. Electron-correlationeffects are pronounced for all properties studied. It is shown that (a) the moderate scalar-relativistic contribution to    is entirely due to the coupling between scalar-relativistic and electron-correlation effects, (b) the spin-free exact two-component theory in its one-electron variant offers a reliable and efficient treatment of scalar-relativistic effects, and (c) non-relativistic theory performs quite well for the prediction of CelecI , provided that electroncorrelation is treated accurately.

http://dx.doi.org/10.1063/1.4828458