Bonding in Cyclothiazenes: An Extension of DEWAR’S Islands Model

Abstract
The electronic structure of some cyclothiazenes has been investigated within the framework of CNDO/2 approximation. The results support the validity of DEWAR’S “islands” model. Stability and preferred conformations of the studied molecules were discussed in terms of transannular energy bonding and anti-bonding terms. The structural parameters of N4S4H4 were related to the protonation mechanism which has been previously analyzed in cyclophosphazenes.

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