Following theoretical analysis and systematic computational results that were published from this institute in the early 1990s concerning the formation and stability of non-classical hydrogen complexes (NCHC) for light,non-transition-metal compounds, we predict the existence of a silicon-containing NCHC, namely Si2F3(μ2-H2). High-level correlated coupled cluster calculations using basis sets up to quadruple-ζ quality pinpoint that Si2F3(μ2-H2) is stable towards dissociation to Si2F3 + H2 by 3.7 kcal/mol. An energy barrier of comparable size is found to separate the NCHC from the more stable dihydride isomer, an oxidation addition product.
