Bismuth-based
fluoride nanocrystalline particles have recently
attracted much attention as hosts for luminescent ions such as lanthanides
(Ln) being proposed for lighting devices and biological applications.
However, a comprehensive investigation on the chemical properties
of this family of materials, the growth of the nanoparticles, and
information about the chemical and thermal stabilities are critical
to assess the real potential of nanosystems. In this view, a combined
experimental and theoretical approach is employed to investigate the
crystalline and electronic structure of BiF3 and NaBiF4. A detailed spectroscopic investigation allows us to measure
the exciton peaks of these fluoride compounds for the first time and
to design the vacuum referred binding energy level diagram of the
lanthanide-doped fluorides with respect to the valence and conduction
bands of the hosts in comparison with conventional fluorides. In addition,
temperature and water effects on the chemical stability of NaBiF4 were addressed, evidencing detrimental limitations and envisaging
possible solutions in view of biological applications.