Abstract
A trinuclear molybdenum cluster having 7 d-electrons, (Cp*Mo)3S4 (1), has been synthesized from reduction of Cp*Mo(StBu)3 by Na/Hg. Extended Huckel calculations on (CpMo)3S4 indicate that the unpaired electron resides in the 2e orbital, which is slightly antibonding with respect to the cluster atoms. In fact, the Mo3S43+ cluster expands compared with a 6 electron Mo3S44+ core. We found evidence for a distortion of the cluster, albeit very small, due to the Jahn−Teller effect.
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