Bond strengths, stable geometries, and electron distributions in the l
owest states of MCS(2) (M = Ca, Sc, Ti, V, Cr, Mn, Cu, Zn) are compare
d with the MCO(2) molecules by ab initio calculations. All the MCS(2)
molecules except ZnCS2 are shown to be stable with respect to dissocia
tion into M + CS2. One metal valence electron is transferred to the CS
, group, which is essentially localized at the carbon atom. M-CS2 bond
strengths are found to decrease in the order TiCS2 > VCS2 > MnCS2 > S
cCS2 approximate to CaCS2 greater than or similar to 1 CrCS2 approxima
te to CuCS2 > ZnCS2. The stability order for geometry is eta(SCS)(3) >
eta(CS)(2) > eta(C)(1) > eta(S)(1).