Approximate ab initio calculations are made on all polyatomic unipositive ions with fewer than six electrons. Predictions are made regarding the stability of such ions. For those which are stable, estimates are made of binding energies, geometries, vibration frequencies, and center of charge. The wavefunctions are valence-bond configuration-interaction functions built form Gaussian orbitals. All possible valence-bond configurations within our chosen basis are used in order to eliminate a serious prejudice regarding geometry. BeH2+, LiHeH+, He3+, LiH3+, LiH2+, He2H+, HeH3+, H5+, HeH2+, H4+, and H3+ are found to be stable. (More accurate calculations on H4+ show that this ion is not stable relative to H3+ and H.) He2H2+, HeH4+, and H6+ are found to be unstable. Two stable isomers of BeH2+ are found: a stable triangular form and a metastable linear form. A semiclassical model is used to interpret and extrapolate our results.
synopsisIn the course of a project on the application of polymers for rock bonding and reinforcement of coal mine structures, the adhesion of epoxy resins to shale mine rock was studied by infrared and Mossbauer spectroscopy. Two types of bonding were identified: primary bonds between silicates and polymer, and hydrogen bonds from organic compounds on the surface of the shale to oxygen in the polymer. These bonds contribute to the adhesive' strength when epoxy resins are used to bind shale. The bonding model, when applied to furfuryl dcohol and polyester resins, predicts inferior binding in the shale system.
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