Back to Search
Start Over
First observation of the 3Πg3 state of C2: Born-Oppenheimer breakdown
- Source :
- The Journal of Chemical Physics. 146:134306
- Publication Year :
- 2017
- Publisher :
- AIP Publishing, 2017.
-
Abstract
- The 33Πg state of the dicarbon molecule, C2, has been identified for the first time by a combination of resonant ionization spectroscopy, mass spectrometry, and high-level ab initio quantum chemical calculations. This marks the discovery of the final valence triplet state of C2 spectroscopically accessible from the lowest triplet state. It is found to be vibronically coupled to the recently discovered 43Πg state, necessitating vibronic calculations beyond the Born-Oppenheimer approximation to reconcile calculated rotational constants with observations. The 33Πg state of C2 is observed to have a much shorter fluorescence lifetime than expected, possibly pointing to predissociation by coupling to the unbound d3Πg state.
- Subjects :
- Valence (chemistry)
010304 chemical physics
Chemistry
Born–Oppenheimer approximation
Ab initio
General Physics and Astronomy
010402 general chemistry
Mass spectrometry
01 natural sciences
0104 chemical sciences
symbols.namesake
Ionization
0103 physical sciences
Physics::Atomic and Molecular Clusters
symbols
Molecule
Physics::Chemical Physics
Physical and Theoretical Chemistry
Atomic physics
Triplet state
Spectroscopy
Subjects
Details
- ISSN :
- 10897690 and 00219606
- Volume :
- 146
- Database :
- OpenAIRE
- Journal :
- The Journal of Chemical Physics
- Accession number :
- edsair.doi...........b8413c63cdf263236d528790427f9898