Abstract:The electronic structure and the energy of various aluminate anions possibly existed in sodium aluminate solutions have been calculated by ab initio and DV-Xx methods of quantum chemistry. The calculation results are used to explain the experimental results of the spectroscopic study of sodium aluminate solutions. It has been found that Al(OH)₄^- may be more stable than A1O₂^- in solutions, and that [(HO₃Al-O-Al(OH)₃]^2- may be more stable than  [(HO₃Al <HOOH> Al(OH)₃]^2- anions. The ultraviolet spectra of sodium aluminate solutions are also interpreted by quantum chemical method.

Key words: sodium aluminate solutions  anion  quantum chemistry