Lowest bending mode of 13 C-substituted C 3 and an experimentally derived structure

The ν lowest bending mode of linear C and of all its C-substituted isotopologues was recorded using a terahertz-supersonic jet spectrometer in combination with a laser ablation source. Sixty-five ro-vibrational transitions between 1.8 and 1.9 THz have been assigned to linear C12C12C12, C12C12C13, C1...

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Veröffentlicht in:The Journal of chemical physics 2016-12, Vol.145 (23), p.234302
Hauptverfasser: Breier, Alexander A, Büchling, Thomas, Schnierer, Rico, Lutter, Volker, Fuchs, Guido W, Yamada, Koichi M T, Mookerjea, Bhaswati, Stutzki, Jürgen, Giesen, Thomas F
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Sprache:eng
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Zusammenfassung:The ν lowest bending mode of linear C and of all its C-substituted isotopologues was recorded using a terahertz-supersonic jet spectrometer in combination with a laser ablation source. Sixty-five ro-vibrational transitions between 1.8 and 1.9 THz have been assigned to linear C12C12C12, C12C12C13, C12C13C12, C13C13C12, C13C12C13, and C13C13C13. For each isotopologue, molecular parameters were obtained and the C-C-bond length was derived experimentally. All results are in excellent agreement with recent ab initio calculations [B. Schröder and P. Sebald, J. Chem. Phys. 144, 044307 (2016)]. The new measurements explain why the interstellar search for singly substituted C12C12C13 has failed so far. A spectral line list with recommended transition frequencies based on global data fits is given to foster future interstellar detections.
ISSN:1089-7690
DOI:10.1063/1.4971854