Abstract
Anticrossing and Resonance Spectroscopy provide an important amount of information on the internal processes active in chemical reactions. We investigate theoretically a simple magneto-catalytic experiment, namely ortho-para hydrogen conversion on a paramagnetic surface. In particular, we stress the importance of non-diagonal exchange interactions between the substrate and the adsorbate, in inducing optical transitions within the adsorbed H2 molecules. The state-mixing is thereafter insured by the molecular hyperfine interactions and corresponds to a double Singlet-Triplet, electronic and nuclear, mixing. The observed magnetic field effects are discussed.
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