6533b820fe1ef96bd1279c1b
RESEARCH PRODUCT
The Born–Oppenheimer equilibrium bond distance of GeO from millimetre- and submillimetre-wave spectra and quantum-chemical calculations
Luca DoreCristina PuzzariniClaudio Degli EspostiJürgen GaussLuca Bizzocchisubject
equilibrium bond distanceBorn-Oppenheimer breakdownrotational spectrumChemistryBiophysicsBorn–Oppenheimer approximationCondensed Matter PhysicsSpectral linequantum-chemical calculationBond lengthsymbols.namesakeRotational spectrumsymbolsMillimeterIsotopologuePhysical and Theoretical ChemistryAtomic physicsGround stateMolecular BiologyAstrophysics::Galaxy AstrophysicsEquilibrium constantdescription
The millimetre- and submillimetre-wave spectra of the five common isotopologues of (GeO)-O-16 in their electronic and vibrational ground state have been recorded in the spectral region 115-732GHz; for (GeO)-Ge-74-O-16, the rotational spectrum in the v = 1 state has been detected as well. Exploiting the high precision of the measurements, the Born-Oppenheimer breakdown parameter Delta(Ge)(01) could be determined from a Dunham analysis of the spectral data, whereas Delta(O)(01) was obtained from quantum-chemical calculations, because of the lack of high-precision measurements for the (GeO)-O-18 isotopologues. From the rotational equilibrium constant, the Born-Oppenheimer equilibrium distance of GeO could be determined.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2014-11-19 |