Equilibrium bond lengths, force constants and vibrational frequencies of MnF2, FeF2, CoF2, NiF2, and ZnF2 from least-squares analysis of gas-phase electron diffraction data

The least-squares analysis of the electron diffraction data for MnF2, FeF2, CoF2, NiF2 and ZnF2 was carried out in terms of a cubic potential function . The obtained equilibrium bond lengths (in A) are r(e)(Mn-F) = 1.797(6), r (e)(Fe-F) = 1.755(6), r(e)(Co-F) = 1.738(6), r(e)(Ni-F) = 1.715(7), and r(e )(Zn-F) = 1.729(7). The determined force constants and the corresponding vi brational frequencies are listed. The bond length r(e)(Cu-F) = 1.700(14) An gstrom for CuF2 was estimated and the variations of bond lengths for the fi rst-row transition metal difluorides were discussed in light of their elect ronic structure. (C) 2001 Elsevier Science B.V. All rights reserved.