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TheeΠg3 state of C2: A pathway to dissociation
- Source :
- The Journal of Chemical Physics. 147:024305
- Publication Year :
- 2017
- Publisher :
- AIP Publishing, 2017.
-
Abstract
- The lowest 13 vibrational levels, v = 0–12, of the eΠg3 state of the C2 molecule have been measured by laser-induced fluorescence of new bands of the Fox-Herzberg system. The newly observed levels, v = 5–12, which span the eΠg3 electronic state up to and beyond the first dissociation threshold of C2, were analyzed to afford highly accurate molecular constants, including band origins, and rotational and spin-orbit constants. The spin-orbit coupling constants of the previously published lowest five levels are revised in sign and magnitude, requiring an overhaul of previously published molecular constants. The analysis is supported by high level ab initio calculations. Lifetimes of all observed levels were recorded and found to be in excellent agreement with ab initio predicted values up to v = 11. v = 12 was found to exhibit a much reduced lifetime and fluorescence quantum yield, which is attributed to the onset of predissociation. This brackets the dissociation energy of ground state XΣg+1 C2 between 6.180...
- Subjects :
- Coupling constant
010304 chemical physics
Chemistry
Ab initio
General Physics and Astronomy
Quantum yield
010402 general chemistry
01 natural sciences
Bond-dissociation energy
Dissociation (chemistry)
0104 chemical sciences
Ab initio quantum chemistry methods
0103 physical sciences
Molecule
Physical and Theoretical Chemistry
Atomic physics
Ground state
Subjects
Details
- ISSN :
- 10897690 and 00219606
- Volume :
- 147
- Database :
- OpenAIRE
- Journal :
- The Journal of Chemical Physics
- Accession number :
- edsair.doi...........c1e91e5350b36768d27e7cb6b4cc5ef3