QUANTUM CHEMICAL STUDY OF ANIONS IN SODIUM ALUMINATE SOLUTIONI

来源期刊：中国有色金属学报(英文版)1992年第3期

论文作者：Liu Honglin Huang Shiping Chen Nianyi

文章页码：43 - 45

Key words：sodium aluminate solutions ; anion ; quantum chemistry

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.