6533b836fe1ef96bd12a0992
RESEARCH PRODUCT
The rotational spectrum of trans-DCOOD: Lamb-dip measurements, THz spectroscopy and quantum-chemical calculations
Cristina PuzzariniJürgen GaussGabriele CazzoliStella Stopkowiczsubject
Quantum chemicalChemistryTerahertz radiationResolution (electron density)Analytical chemistryLAMB-DIP TECHNIQUEGeneral Physics and AstronomyHYPERFINE STRUCTUREDeuteriumrotational spectroscopyRotational spectrumtrans-DCOODMillimeterIsotopologueAstrophysics::Earth and Planetary AstrophysicsPhysics::Atomic PhysicsPhysical and Theoretical ChemistryAtomic physicsHyperfine structureQUANTUM-CHEMICAL CALCULATIONSdescription
Abstract The rotational spectrum of the bi-deuterated isotopologue of trans-formic acid, trans-DCOOD, was recorded at sub-Doppler resolution in the millimeter- and sub-millimeter-wave region using the Lamb-dip technique. The hyperfine structure due to the deuterium nuclei could be resolved and accurate hyperfine constants were derived. The experimental determination of the deuterium quadrupole-coupling constants was supported by high-level quantum-chemical calculations at the coupled-cluster level using large atomic-orbital basis sets. The Lamb-dip measurements were also supplemented by THz Doppler-limited measurements in order to extend the predictive capability of the available spectroscopic parameters to higher frequencies, i.e., up to 5 THz.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-01-01 |