Electronic structure and chemical bonding between the first row transition metals and C2: A photoelectron spectroscopy study of MC2− (M=Sc, V, Cr, Mn, Fe, and Co)

Abstract

Vibrationally resolved photoelectron spectra of MC2− (M=Sc, V, Cr, Mn, Fe, and Co) are reported at two detachment photon energies, 532 and 355 nm. All the spectra showed a well resolved vibrational progression in the ground state detachment features. Electron affinities, vibrational frequencies, and information about the low-lying electronic states were obtained for the first row transition metal dicarbide molecules. The measured electron affinities for the MC2 species show strong metal-dependence with a minimum at VC2 and a maximum at MnC2. The ground state vibrational frequencies were observed to decrease from ScC2 to a minimum in CrC2 and then increases slightly in MnC2 and FeC2. The trends of the electron affinities and vibrational frequencies for the MC2 species were found to correlate well with the corresponding monoxides, suggesting that the chemical bonding in M–C2 is analogous to that in M–O. The M–C2 bonding was thus interpreted to be quite ionic, and MC2 can be qualitatively viewed as M2+C22−, analogous to M2+O2−.