Prediction of a metastable D3h form of tetra oxygen

✍ Scribed by I. Røeggen; E.Wisløff Nilssen

• Publisher: Elsevier Science
• Year: 1989
• Tongue: English
• Weight: 459 KB
• Volume: 157
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(89)87272-0

✦ Synopsis

Ab initio calculations based on an extended geminal model have shown that a branched form of O,, i.e. OOX characterized by a central atom and three equivalent ligand atoms, can exist in a metastable D3,, form. The equilibrium bond length of this form is 1.330 A. The energy of 04(Dj,) is 9.81 kJ/mol higher than the energy of isolated ozone and oxygen in the 'D state. There is an energy barrier (measured from O,( D,,) ) of 127.28 kJ/mol separating tetra oxygen fromozone and oxygen (ID).