Mid-infrared spectroscopy of 1-cyanonaphthalene cation for astrochemical consideration

We present the low temperature gas-phase vibrational spectrum of ionised 1-cyanonaphthalene (1-CNN + ) in the mid-infrared region. Experimentally, 1-CNN + ions are cooled below 10 K in a cryogenic ion trapping apparatus, tagged with He atoms and probed with tuneable radiation. Quantum-chemical calcu...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2024-01, Vol.26 (5), p.4111-4117
Hauptverfasser: Palotás, Julianna, Daly, Francis C, Douglas-Walker, Thomas E, Campbell, Ewen K
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Sprache:eng
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Zusammenfassung:We present the low temperature gas-phase vibrational spectrum of ionised 1-cyanonaphthalene (1-CNN + ) in the mid-infrared region. Experimentally, 1-CNN + ions are cooled below 10 K in a cryogenic ion trapping apparatus, tagged with He atoms and probed with tuneable radiation. Quantum-chemical calculations are carried out at a density functional theory level. The spectrum is dominated by the CN-stretch at 4.516 μm, with weaker CH modes near 3.2 μm. We present the low temperature gas-phase vibrational spectrum of ionised 1-cyanonaphthalene (1-CNN + ) in the mid-infrared region.
ISSN:1463-9076
1463-9084
DOI:10.1039/d3cp05784d