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II. Calculation of Energy of H3+Ion

机译:II. Calculation of Energy of H3+Ion

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The potential energies for linear symmetrical configurations of H3+have been calculated by the same methods used in the previous paper (I). The energies at the minimum in kcal./mole and the corresponding distances between neighboring atoms in Bohr radii for the various approximations are:Heitlerminus;Londonminus;91.92thinsp;atthinsp;2.00;H.L. plus polarminus;108.64thinsp;atthinsp;2.00;Wang Approx.minus;130.89thinsp;atthinsp;1.55;Wang plus polarminus;155.35thinsp;atthinsp;1.52.It follows from the use of the variational method that the energy of binding of a proton to H2is greater than 46.8 kcal./mole. If we use the same Wang plus polar approximation for H2and H3+we obtain for this binding energy 63.11 kcal./mole. The reaction H2++H2rarr;H3++H may be exothermal and cannot be more than slightly endothermal.

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