6533b7d7fe1ef96bd126794f
RESEARCH PRODUCT
Global analysis of 12CH335Cl and 12CH337Cl: simultaneous fit of the lower five polyads (0–2600cm−1)
H. BürgerJean-paul ChampionAndrei Nikitinsubject
PhysicsNuclear magnetic resonanceInfraredPhysical and Theoretical ChemistryAtomic physicsGround statePolyadGlobal modelSpectroscopyAtomic and Molecular Physics and OpticsStandard deviationIsotopomersdescription
Abstract The global analysis of the infrared spectrum of chloromethane involving the ground state and the 13 vibrational states lying up to 2600 cm −1 is reported. This work incorporates and extends to the fifth polyad, the preliminary study of the lower four polyads published by [J. Mol. Spectrosc. 221 (2003) 199]. More than 20 000 transitions (including numerous 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 precision. A common set of 288 (resp. 303) effective parameters was determined for each isotopomer. Our global model allowed us to reproduce simultaneously and accurately the resonances already encountered in Polyad 3 and the new ones involved in Polyad 5.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2005-04-01 | Journal of Molecular Spectroscopy |