Year: 2025
Type: article
Abstract: Cyanooxomethylium, NCCO +, a fundamental linear acylium ion, has been observed spectroscopically for the first time using action spectroscopy in ion trap apparatuses. A first low-resolution infrared spectrum was obtained between 500 to 1400 cm −1 and 2000 to 2500 cm −1 using the Free Electron Laser for Infrared eXperiments (FELIX) and the FELion apparatus, employing infrared predissociation of the weakly bound NCCO + −Ne complex. Subsequently, high-resolution studies of the bare ion were performed with the COLtrap II setup, one targeted at the CN-stretching mode ν 2 around 2150 cm −1 using leak-out spectroscopy and one at the pure rotational spectrum employing a leak-out infrared/millimeter-wave double resonance approach covering transition frequencies as high as 246 GHz. Spectroscopic detection and analysis were guided by high-level quantum-chemical calculations performed at the CCSD(T) level of theory. The collected data permit accurate frequency predictions to support future astronomical searches with sensitive radio telescopes.
Institutions: University of Cologne, University of Novi Sad
Language: English
Subfield: Spectroscopy
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W4416430110