High-resolution infrared spectra and rovibrational analysis of the ν12 band of propylene oxide

Abstract

The high-resolution infrared spectrum of the fundamental band ν₁₂ (ring breathing) of the chiral molecule propylene oxide (CH₃CHCH₂O) was recorded at room temperature and under jet-cooled conditions using a quantum cascade laser at 8 μm. The observed lines with quantum numbers J ≤ 55 and K_a ≤ 21 were assigned to strong b- and c-type bands, and some low J transitions were classified as weak a-type transitions. The lines were fitted using a Watsons A-reduced Hamiltonian in the I^r representation. From the rovibrational analysis the band origin as well as the rotational constants and four quartic centrifugal distortion constants were derived.