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The bending vibrations in 12C2H2 : Global vibration-rotation analysis
- Source :
- Molecular Physics, Molecular Physics, Taylor & Francis, 2007, 105 (13-14), pp.2009-2009. ⟨10.1080/00268970701499478⟩, Molecular Physics, Taylor & Francis, 2007, 105 (05-07), pp.559-568. ⟨10.1080/00268970601099261⟩
- Publication Year :
- 2007
- Publisher :
- HAL CCSD, 2007.
-
Abstract
- International audience; A total of 3155 vibration-rotation line positions providing accurate information on all known vibration-rotation states up to 3000 cm-1 in 12C2H2 were gathered from the literature. Additional 966 lines were assigned on new spectra. The full data set was simultaneously fitted using an appropriate Hamiltonian, with 85 refined parameters. A dimensionless standard deviation equal to 0.86, accounting for 92 % of the lines, was achieved. The vibrational transition dipole moment of the v5 = 1 ← v4 = 1 band observed in the far-infrared was estimated to be │μ5←4│ = 0.55 D with 20 % accuracy, from absolute intensity measurements for a few Q-branch lines.
- Subjects :
- 010304 chemical physics
Bending vibration
business.industry
Chemistry
Transition dipole moment
Biophysics
Condensed Matter Physics
01 natural sciences
Spectral line
Standard deviation
Vibration
symbols.namesake
Optics
Full data
0103 physical sciences
Physical Sciences
symbols
Physical and Theoretical Chemistry
Atomic physics
Hamiltonian (quantum mechanics)
business
010303 astronomy & astrophysics
Molecular Biology
Dimensionless quantity
Subjects
Details
- Language :
- English
- ISSN :
- 00268976 and 13623028
- Database :
- OpenAIRE
- Journal :
- Molecular Physics, Molecular Physics, Taylor & Francis, 2007, 105 (13-14), pp.2009-2009. ⟨10.1080/00268970701499478⟩, Molecular Physics, Taylor & Francis, 2007, 105 (05-07), pp.559-568. ⟨10.1080/00268970601099261⟩
- Accession number :
- edsair.doi.dedup.....b3f4704d0bbfb69b91c8577e01de3602
- Full Text :
- https://doi.org/10.1080/00268970701499478⟩