Laser excitation spectrum of C3 in the region 26 000-30 700 cm-1

Chiao Wei Chen, Anthony J. Merer, Jun Mei Chao, Yen Chu Hsu

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Abstract

The vibrational structure of the Ã1Πu electronic state of C 3 in the region 26 000-30 775 cm-1 has been re-examined, using laser excitation spectra of jet-cooled molecules. Rotational constants and vibrational energies have been determined for over 60 previously-unreported vibronic levels; a number of other levels have been re-assigned. The vibrational structure is complicated by interactions between levels of the upper and lower Born-Oppenheimer components of the Ã1Πu state, and by the effects of the double minimum potential in the Q3 coordinate, recognized by Izuha and Yamanouchi [16]. The present work shows that there is also strong anharmonic resonance between the overtones of the ν1 and ν3 vibrations. For instance, the levels 2 1+ 1 and 0 1 + 3 are nearly degenerate in zero order, but as a result of the resonance they give rise to two levels 139 cm-1 apart, centered about the expected position of the 2 1 + 1 level. With these irregularities recognized, every observed vibrational level up to 30 000 cm-1 (a vibrational energy of over 5000 cm-1) can now be assigned. A Σu+ vibronic level at 30181.4 cm-1, which has a much lower B′ rotational constant than nearby levels of the Ã1Πu state, possibly represents the onset of vibronic perturbations by the B̃′1Δu electronic state; this state is so far unknown, but is predicted by the ab initio calculations of Ahmed et al. [36].

Original languageEnglish
Pages (from-to)56-70
Number of pages15
JournalJournal of molecular spectroscopy
Volume263
Issue number1
DOIs
StatePublished - Sep 2010

Keywords

  • Laser-induced fluorescence
  • Triatomic carbon
  • Vibrational analysis

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