Crystal structure and thermodynamical behavior of tetrabenzo[de,hi,op,st]pentacene endoperoxide

Article abstract of DOI:10.1016/S0040-4039(96)02272-1

The crystal structure of an endoperoxide of tetrabenzo[de,hi,op,st]pentacene (TBPA-O₂) was determined by X-ray crystallography. The unusually long O-O and C-O bonds were rationalized by the characteristic molecular structure of TBPA-O₂. The photochromic behavior between TBPA-O₂ and TBPA was discussed based on the enthalpy difference between TBPA-O and TBPA + O₂ and the thermodynamic parameters of the extrusion of oxygen from TBPA-O₂.