Abstract

The electronic structure of cis-l,2,3-tricyanocyclopropane has been studied by the maximum overlap method, using Clementi atomic orbitals. It is assumed that the bond energies are proportional to the corresponding overlap integrals. Scale factors were checked on the ethylene, vinylcyanide and tetracyanoethylene. Bent bonds in the cis-1,2,3-tricyanocyclopropane ring are confirmed. The possibility of the complex hybridisation in strained molecules is discussed. It is shown that the principle of maximum overlap necessarily leads to real hybridisation and consequently to the bent bonds.

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