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RESEARCH PRODUCT
Vibrational spectroscopy of trans and cis deuterated formic acid (HCOOD): Anharmonic calculations and experiments in argon and neon matrices
Leonid KhriachtchevMarkku RäsänenA.v. DomanskayaJan LundellKseniya Marushkevichsubject
Materials scienceAbsorption spectroscopyFormic acidOvertoneeducation116 Chemical sciencesInfrared spectroscopychemistry.chemical_element010402 general chemistry01 natural scienceschemistry.chemical_compoundNeon0103 physical sciencesPhysics::Atomic and Molecular ClustersPhysics::Chemical PhysicsPhysical and Theoretical ChemistryConformational isomerismAstrophysics::Galaxy AstrophysicsSpectroscopyQuantitative Biology::BiomoleculesArgon010304 chemical physicsMatrix isolationAtomic and Molecular Physics and Optics0104 chemical scienceschemistryPhysical chemistrydescription
The absorption spectra of trans and cis conformers of deuterated formic acid (HCOOD) isolated in argon and neon matrices are analyzed in the mid-infrared and near-infrared spectral regions (7900–450 cm � 1 ). Vibrational excitation by narrow-band IR radiation is used to convert the lower-energy trans conformer to the higher-energy cis form. A large number of overtone and combination bands are identified. The results of anharmonic vibrational calculations (CC-VSCF) for both conformers are reported and compared to the experimental spectra.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2010-02-01 | Journal of Molecular Spectroscopy |