6533b7d2fe1ef96bd125f727

RESEARCH PRODUCT

Mass-independent analysis of the stable isotopologues of gas-phase titanium monoxide – TiO

Alexander A. BreierThomas F. GiesenJürgen GaussBjörn WaßmuthGuido W. Fuchs

subject

Materials scienceFOS: Physical scienceschemistry.chemical_elementElectronic structure010402 general chemistry01 natural sciencesMolecular physicsCondensed Matter::Materials SciencePhysics - Chemical Physics0103 physical sciencesAstrophysics::Solar and Stellar AstrophysicsIsotopologuePhysical and Theoretical ChemistryInstrumentation and Methods for Astrophysics (astro-ph.IM)Hyperfine structureSpectroscopyChemical Physics (physics.chem-ph)Jet (fluid)Laser ablation010304 chemical physicsSpectrometerMonoxideAtomic and Molecular Physics and Optics0104 chemical scienceschemistryAstrophysics::Earth and Planetary AstrophysicsAstrophysics - Instrumentation and Methods for AstrophysicsTitanium

description

More than 130 pure rotational transitions of $^{46}$TiO, $^{47}$TiO, $^{48}$TiO, $^{49}$TiO, $^{50}$TiO, and $^{48}$Ti$^{18}$O are recorded using a high-resolution mm-wave supersonic jet spectrometer in combination with a laser ablation source. For the first time a mass-independent Dunham-like analysis is performed encompassing rare titanium monoxide isotopologues, and are compared to results from high-accuracy quantum-chemical calculations. The obtained parametrization reveals for titanium monoxide effects due to deviations from the Born-Oppenheimer approximation. Additionally, the dominant titanium properties enable an insight into the electronic structure of TiO by analyzing its hyperfine interactions. Further, based on the mass-independent analysis, the frequency positions of the pure rotational transitions of the short lived rare isotopologue $^{44}$TiO are predicted with high accuracy, i.e., on a sub-MHz uncertainty level. This allows for dedicated radio-astronomical searches of this species in core-collapse environments of supernovae.

https://doi.org/10.1016/j.jms.2018.11.006