Calculated infrared and Raman signatures of Ag+, Cd2+, Pb2+, Hg2+, Ca2+, Mg2+, and K+ sodalites

摘要: Abstract We explore the potential of vibrational spectroscopy, an inexpensive analysis technique, for purpose detecting heavy metals in water using sodalite. Computations via density functional theory infrared and Raman spectra anion-free sodalites that have been exchanged with lead (II), cadmium mercury (II) ions predict a peak 850–880 cm−1 range both is characteristic these three metal cations. This distinguishable from potassium, magnesium, calcium ions, which are naturally present drinking water. Unfortunately, no this exists chloro-, bromo-, or hydroxy-sodalites, peaks may be masked by presence magnesium hydroxysodalites, would expected to form testing applications. In addition, signal-to-noise ratio likely too low provide useful test contamination at levels required municipal testing.