Abstract
SC–MEH–MO calculations with quasi-relativistic STOS, electron repulsion correlation, and configuration interaction (QR–SCMEH–RCCI) have been extended from the Sm(Cp*)2 results initially reported to the ions Sm(Cp*)+, Sm(Cp*)2+, and the unique tetrameter [Sm(Cp*)]. The latter was synthesized and its structure characterized, with the Sm atoms bridged by N2H, N2H, and NH3 groups. The initial calculations have omitted the bridging lipnds, so as to test the possibility of Sm–Sm bonding since the distances are some 3.55 A (about 0.05 A shorter than in Sm metal). © 1995 John Wiley & Sons, Inc.
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