Abstract
Ab initio many-body calculations according to Cederbaum's OVGF formalism have been carried out on the IEs of the outer valence orbitals of the cyclopropene analogues, borirene, azirene, oxirene, silirene, phosphirene and thiirene. The internal correlation diagrams and comparison of the theoretical predictions with the experimental values available for the parent single-bond compounds and open-chain dimethyl analogues indicate a complex non-uniform role exerted by the bridgehead heteroatom in this series of highly strained heterocyclopropenes.
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