Molecular Structure of Dicumyl Peroxide
Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science
It has been shown by x-ray diffraction analysis that the peroxide group in. dicumyl peroxide has a planar transoid conformation as in the crystals of its analogs (bis(triphenylmethyl) peroxide and di-tert-butyl peroxide); and so this conformation is the preferred one for peroxides with two tertiary hydrocarbon substituents. This conclusion is supported by the results of conformational calculations carried out using MNDO and molecular mechanics.
Kosnikov, A. Yu.; Antonovskii, V. L.; Turovskii, N. A.; Lindeman, Sergey; Timofeeva, T. V.; Struchkov, Yu T.; and Zyat'kov, I. P., "Molecular Structure of Dicumyl Peroxide" (1988). Chemistry Faculty Research and Publications. 736.