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On a Reinvestigation of the Structure of Dinitrogen Tetrafluoride, N2F4, by Gaseous Electron Diffraction

1972; American Institute of Physics; Volume: 56; Issue: 4 Linguagem: Inglês

10.1063/1.1677426

1520-9032

Michael M. Gilbert, Grete Gundersen, Kenneth Hedberg,

Chemical Thermodynamics and Molecular Structure

Analysis of electron-diffraction patterns from gaseous N2F4 at 25°C has verified conclusions from earlier work that the material contains both trans and gauche conformers. Assuming that these conformers have the same parameter values except for the torsion angle, the following principal results were obtained: 71.2% (8.1) trans, rNN=1.492 Å (0.007), rNF=1.372 Å (0.002), 〈 FNF=103.1° (0.6), 〈 NNF=101.4° (0.4), θ (the dihedral angle N2N1F4, N1N2F1)=64.2° (3.7), lNN=0.048 Å (0.005), and lNF=0.044 Å (0.002). These distances and root-mean-square amplitudes are ra and la values; the errors are 2σ and include estimates of systematic error. The diffraction results indicate that the energy difference Eg—Et is roughly less than 1.0 kcal but that the rotational barrier may be several kilocalories.