6533b86cfe1ef96bd12c7f0e
RESEARCH PRODUCT
New ground state constants of 12CH335Cl and 12CH337Cl from global polyad analysis
Andrei NikitinJean-paul Championsubject
PhysicsInfraredChloromethaneRotational–vibrational spectroscopyPolyadAtomic and Molecular Physics and OpticsStandard deviationIsotopomerschemistry.chemical_compoundNuclear magnetic resonancechemistryDistortionPhysical and Theoretical ChemistryAtomic physicsGround stateSpectroscopydescription
Abstract A global analysis of the infrared spectrum of chloromethane involving the ground state and the 13 vibrational states lying up to 2600 cm −1 was recently achieved using high resolution Fourier transform spectra of pure isotopomers. More than 20 000 transitions (cold and hot bands) for each isotopomer 12 CH 3 35 Cl and 12 CH 3 37 Cl have been assigned and fitted with a standard deviation of about 3 × 10 −4 cm −1 close to the experimental precison. As part of this global effort, improved ground state constants up to sextic centrifugal distortion terms have been determined for each isotopomer taking advantage of the numerous allowed and perturtation-allowed transitions simultaneously fitted using our global model. The axial constants could be determined from Δ K ≠ 0 combinations arising from rovibrational local resonances within Polyads 3 and 5.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2005-04-01 | Journal of Molecular Spectroscopy |