Synthesis, Microwave Spectra, Electric Dipole Moment, and Molecular Structure of Cyclopentene Ozonide (6,7,8-Trioxabicyclooctane)

Article abstract of DOI:10.1021/j150644a015

The ground-state rotational spectra of 14 isotopic species of cyclopentene ozonide (6,7,8-trioxabicyclo<3.2.1>octane) were assigned.These included the normal isotopic species , all single-substituted deuterium, 13C , and 18O species, and all multiple-18O-substituted species.Three vibrational satellites of the normal isotopic species were also assigned.The dipole moment was found to be 2.48(1) D, with principal axis components /μ_a/ = 2.30(1) D, /μ_b/ = 0.0 D, and /μ_c/ = 0.91(1) D.The ground state of cyclopentene ozonide has C_s symmetry and the endo conformation.Its structure is discussed in relation to an ab initio molecular orbital calculation of the C_s conformer of ethylene ozonide.