Beschreibung:
<jats:title>Abstract</jats:title><jats:p><jats:italic>Ab initio</jats:italic> molecular orbital calculations have been used to determine the structure of protonated ozone. Four stable minima were found on the O<jats:sub>3</jats:sub>H<jats:sup>+</jats:sup> singlet potential energy surface. Three forms correspond to ozone protonated at the central oxygen (C<jats:sub>2</jats:sub><jats:sub><jats:italic>v</jats:italic></jats:sub>) or at the terminal oxygen (two C<jats:sub><jats:italic>s</jats:italic></jats:sub> isomers, <jats:italic>E</jats:italic> and <jats:italic>Z</jats:italic>). The fourth isomer (C<jats:sub><jats:italic>s</jats:italic></jats:sub>) is a derivative of trioxirane. The most stable structure is the planar <jats:italic>E</jats:italic> form I. The proton affinity of ozone (to give I) is given as 123.6 kcal/mole (MP2/6‐31G*//4‐31G). The energy difference between I and protonated trioxirane VI is greater than that between ozone and trioxirane.</jats:p>