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Citation:
Liu Hong-Lin, Cao Yi-Lin, Chen Nian-Yi. The Absorption Peaks of Sodium Aluminate Solutions[J]. Acta Physico-Chimica Sinica,
;1992, 8(04): 441-444.
doi:
10.3866/PKU.WHXB19920404
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MNDO and X_a methods have been used for the quantum chemical calculation of [Al_2O(OH)_6]~(2-) and Al(OH)_4~- ions existed in sodium aluminate solutions. The rotation barrier of the former is 10.08 kJ·mol~(-1) and its most stable configuration is C_s. The UV absorption peaks due to the electronic transition between HOMO and LUMO of these two ions have been estimated to be 266.6 nm and 234.4 nm respectively, which are in agreement with the experimental data 270.0 nm and 230.0 nm.
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