By Kolb T.
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Government Printing Office: Washington, 1971. 76. Shaw, R. J. Phys. Chem. Ref. Data 1978, 7, 1179. 77. ; Marshall, R. ; Purnell, H. J. Chem. Soc. Faraday Trans. 1 1979,75,835 78. Walch, S. P. J. Chem. Phys. 1980, 72, 4932. 79. Schatz, G. ; Walch, S. ; Wagner, A. F. J. Chem. Phys. 1980, 73, 4536. 80. ; Villareves, J. L. Theoret. Chim. Acta 1984, 65, 109. 81. Schatz, G. ; Wagner, A. ; Dunning, T. H. J. Chem. Phys. 1984, 88, 221. 82. Shapiro, J. ; Weston, R. , Jr. J. Phys. Chem. 1972, 76, 1669. 83.
2 46 ISOTOPE EFFECTS IN GAS-PHASE CHEMISTRY II and III. For D N , Fig. 7 indicates that the lowest 5 energy levels are very stable, so these energy levels should be accurately determined (perhaps suggesting that the scattering results are not fully converged). For H N there is a good deal of uncertainty in determining energy levels, easily tens of c m for states other than the ground state. This is consistent with the level of agreement between the stabilization and scattering results. 2 2 - 1 Conclusion The most important results in this paper refer to the vibrational energy levels and lifetimes of H N and D N .
2 3. KOIZUMI ET AL. HN and DN Resonance Spectra 2 43 2 are seen in nearly all the curves for each isotope, implying significant coupling of each resonance to all the asymptotic rotor states. The widths of the resonances increase rapidly with increasing energy, which makes sense given that the barrier energy is 5316 c m , and the addition of zero point energy raises this to 6686 c m for H N (higher than the lowest 5 resonances) and 6593 cm" for D N (higher than the lowest 8 resonances). The energies (E ), widths (Γ) and lifetimes (τ = tywidth) of the lowest 12 resonances for H N are listed in Table Π, and the lowest 11 resonances for D N in Table ΠΙ.