Using a 6-311G8* basis set with estimation of correlation energy at the MP2 level, structural and energetic data for 40 molecular species containing magnesium have been calculated. For about half the species studied, further energetic data were obtained using Pople's G2 method. Enthalpy changes at 298.15 K were obtained for isogyric reactions and standard enthalpies of formation were derived from these. Comparison of the standard enthalpies of formation with the sparse literature data suggests the MP2/6-311G8* standard enthalpies of formation are accurate to +15 W mol-' and the corresponding G2 enthalpies accurate to + l o W mol-'.The calculated AH; [MgN, g ] revealed a gross error in the currently accepted value for this function. It is intended that these results will be used to parameterize the semiempirical molecular orbital package, MOPAC, for the element magnesium. 0 1993 by John Wiley & Sons, Inc.
Binary gaseous diffusion coefficients at 1 atm of pressure for Zn and for Hg with H2, He, Ar, N2, and C02 have been determined In the ranges 420-590 K (for Hg) and 690-1140 K (for Zn) by using the modified entrainment method. The results are Interpreted In terms of two Intermolecular potentials.
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