Infrared spectrum of elusive C 2F radical: A matrix-isolation and computational study

Abstract

We study theoretically and experimentally the infrared absorption spectrum of C 2F radical. The calculated spectrum of C 2F shows characteristic bands at ca. 1600 cm −1 and rich absorption patterns above 4500 cm −1 with very high intensities (up to ∼10 4 km mol −1). In experiment, C 2F radicals were obtained by ultraviolet photolysis of HCCF in Ar and Kr matrices at 9 K. The experimental evidence and good agreement with the theoretical results allow us to report for the first time the experimental spectrum of C 2F radical. In agreement with theory, the C 2F absorption bands are very strong in the experimental spectra compared to the bands of C 2H and HCCF.