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Updated: Jan 26, 2026

Non-equilibrium Microwave Plasma for Efficient High Temperature Chemistry
Published on: August 1, 2017
Accurate equilibrium structures of methyl methacrylate and methacrylic acid by microwave spectroscopy and dispersion
S Herbers1, P Kraus1, J-U Grabow1
1Institut für Physikalische Chemie und Elektrochemie, Leibniz Universität Hannover, Hannover 30167, Germany.
Abstract:
The rotational constants of s-trans and s-cis methyl methacrylate and methacrylic acid are determined from microwave spectra. All singly substituted heavy-atom isotopologs of the four species are measured in natural abundance. The experimental rotational constants are combined with anharmonic vibrational corrections using the Coulomb-attenuating method, Becke, three-parameter, Lee-Yang-Parr density functional with Grimme's D3 dispersion corrections and the Becke-Johnson damping function, yielding precise semi-experimental equilibrium rotational constants. These constants are used to determine semi-experimental equilibrium structures with sub-picometer accuracy, suitable for benchmarking purposes.
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