@article{51,
  author = {Sean McDowell and Jerelle Joseph},
  title = {The effect of atomic ions on model σ-hole bonded complexes of AH3Y (A = C, Si, Ge; Y = F, Cl, Br).},
  abstract = {<p>A computational study of ionic X{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}AH3-Y complexes (X = F(-), Cl(-), Br(-), Li(+), Be(2+); A = C, Si, Ge; Y = F, Cl, Br) predicted optimized structures which are held together by a combination of attractive forces, including ion-dipole and ion-σ-hole electrostatic interactions, and polarization forces. The trends (with variation in the halogen Y) for selected properties were rationalized by considering the electron density shifts due to the ion{\textquoteright}s electric field. Although it has been found previously that the trends for binding energies in neutral complexes follow the sigma-hole strength, the present study found that the dependence on the dipole polarizability of the A-Y bond can explain the trends for binding energies in these more strongly bound ionic complexes.</p>
},
  year = {2014},
  journal = {Physical chemistry chemical physics : PCCP},
  volume = {16},
  pages = {10854-60},
  issn = {1463-9084},
  doi = {10.1039/c4cp01074d},
  language = {eng},
}