Theory of Nuclear Quadrupole Interaction in Trifluoro-Aminoboranes [BF$_{3}$-NH$_{3-X}$(CH$_{3})_{X}$]

The understanding of the catalytic properties of BF$_{3}$ of great current interest require information about the electronic structures of the associated complexes of BF$_{3}$ with the molecules involved in the process. In this work we have studied the corresponding complexes for methylamines using the Hartree-Fock procedure combined with many-body perturbation theory. Results will be presented for the natures of the three complexes and the $^{19}$F* quadrupole coupling constants and asymmetry parameters for which experimental data [1] are available. Comparisons will be made with the corresponding properties for BF$_{3}$-NH$_{3}$, allowing valuable insights into the trends in the electron distributions in this family of complexes. \newline \newline [1] K. Bertholdt et al., J. Mol. Struct. 192, 199 (1989)