Generation of H–Kr–C5N and H–Xe–C5N molecules

The identification of H–Rg–C5N (Rg = Kr, Xe) molecules via their IR absorption is presented. Experiments involve either UV laser photolysis of solidified rare gases doped with cyanodiacetylene (HC5N), or electrical discharges through appropriate gas mixtures, followed by the cryogenic trapping of products. Spectral assignments are based on theoretical (mainly DFT) predictions, as well as on the susceptibility of detected bands to thermal cycling and to the secondary photolysis (photobleaching).

► Rare gas insertion species H–Kr–C5N and H–Xe–C5N have been synthesized.
► Cryotrapping of electric discharge products proved effective for that end.
► DFT method supplied acceptable predictions regarding IR spectroscopy.
► Investigated properties are similar to those of H–Kr–C3N and H–Xe–C3N.