A trinuclear molybdenum cluster having 7 d-electrons, (CpMo)(3)S-4 (1
), has been synthesized from reduction of CpMo(S(t)Bu)(3) by Na/Hg. E
xtended Huckel calculations on (CpMo)(3)S-4 indicate that the unpaired
electron resides in the 2e orbital, which is slightly antibonding wit
h respect to the cluster atoms. In fact, the Mo3S43+ cluster expands c
ompared with a 6 electron Mo3S44+ core. We found evidence for a distor
tion of the cluster, albeit very small, due to the Jahn-Teller effect.