Molecular orbitals, dioxiranes

Molecular models, ethylene ozonides, 750 Molecular orbitals, dioxiranes, 27-9 Molecular oxygen... 

Bach et al. have calculated the energies and structures of parent dioxirane (lc) as well as the open diradical form (10) and the isomeric carbonyl oxide (11) <92JA7207>. The molecular orbital calculations were carried out using the GAUSSIAN 90 program and the second order Moller-Plesset (MP2) optimization was used to obtain the structure of (lc). The C—O and O—O bond distances were calculated to be 1.397 and 1.531 A, respectively, which compare well to the distances... 

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