Spectroscopic Detection and Characterization of Cyanooxomethylium, NCCO$^+$
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arXiv
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| Format: | Preprint |
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2026
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| author | Bast, Marcel Böing, Julian Salomon, Thomas Plaar, Eline Savić, Igor Schäfer, Mathias Asvany, Oskar Schlemmer, Stephan Thorwirth, Sven |
| author_facet | Bast, Marcel Böing, Julian Salomon, Thomas Plaar, Eline Savić, Igor Schäfer, Mathias Asvany, Oskar Schlemmer, Stephan Thorwirth, Sven |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2601_20365 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Spectroscopic Detection and Characterization of Cyanooxomethylium, NCCO$^+$ Bast, Marcel Böing, Julian Salomon, Thomas Plaar, Eline Savić, Igor Schäfer, Mathias Asvany, Oskar Schlemmer, Stephan Thorwirth, Sven Chemical Physics 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. |
| title | Spectroscopic Detection and Characterization of Cyanooxomethylium, NCCO$^+$ |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2601.20365 |