High-Resolution FTIR Study of Thiocarbonyl Difluoride SCF2: Analysis of the ν2, ν3, ν5, and ν6Bands

Abstract

High-resolution (∼3 × 10−3cm−1) FTIR spectra of the planar SCF2molecule have been recorded in the range of the four lowest-lying fundamentals ν2(789.535 cm−1), ν3(526.697 cm−1), ν5(419.546 cm−1), and ν6(623.187 cm−1). For each band 4500–7500 transitions have been assigned and fitted to a standard Watson-type Hamiltonian up to quartic terms, σ(Fit) ∼ 3.5 × 10−4cm−1. No indication of rovibrational perturbations was found, excited state rotational and centrifugal distortion constants being close to their ground state values. Ground state parameters previously determined from microwave spectra were, in part, improved by a merge of the appropriately weighted microwave data and ∼10000 ground state combination differences that were obtained from the ν4band and spanningJandKavalues of 88 and 49, respectively.