Abstract
The problem of stabilizing the linear clusters of mercury by terminal groups is discussed in terms of the MNDO method for the following model and real compounds: Hgn (I), HgnCl2 (II) and Hgn(AlCl4)2 (III) with n=2–4. It is shown that the terminal acceptor groups stabilize the linear mercury chains. It is established that in systems (II) and (III), unlike in (I), the highest occupied molecular orbitals are bonding.
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