| Abstrakt: |
The infrared spectrum of CF2O2has been studied in the 800-1600 cm−1region with a resolution of ca. 0.003 cm−1. Rotational fine structure was resolved, and the supposed cyclic difluorodioxirane structure with C2vsymmetry, κ = −0.0632, was confirmed. The ν1and ν2bands, which reveal a-type structure and are centered at 1466.591 and 917.905 cm−1, respectively, and the c-type band ν8centered at 1062.102 cm−1have been analyzed employing Watson′s A-reduced Hamiltonian in the Irrepresentation. For each of these bands, between 4100 and 5600 lines were fitted, with σ = 3.5-4 × 10−4cm−1. No perturbations were found. Ground state constants of the novel CF2O2molecule were determined for the first time from a fit of ca. 7500 ground state combination differences formed from transitions belonging to ν1, ν2, and ν8, which were fitted with σ = 4 × 10−4cm−1. The rotational constants A0= 0.26575541(28) cm−1, B0= 0.21095653(14) cm−1, and C0= 0.16266791(15) cm−1were determined. Assuming a CF bond length of 131.5 pm, the structural parameters d(CO) = 134.9 pm, d(OO) = 157.6 pm, and ∠ (FCF) 109.05° were derived. |
