THE ABSORPTION PEAKS OF SODIUM ALUMINATE SOLUTIONS

被引：7

作者：

Liu Honglin ^{[1
]}

Cao Yilin ^{[1
]}

Chen Nianyi ^{[1
]}

机构：

[1] Acad Sinica, Shanghai Inst Met, Shanghai 200050, Peoples R China

来源：

ACTA PHYSICO-CHIMICA SINICA | 1992年 / 8卷 / 04期

关键词：

Sodium aluminate solutions; Quantum chemistry; UV spectroscopies;

D O I：

10.3866/PKU.WHXB19920404

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

MNDO and X-a methods have. been used for the quantum chemical calculation of [Al2O(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 2666 angstrom and 2344 angstrom respectively, which are in agreement with the experimental data 2700 angstrom and 2300 angstrom.

引用

页码：441 / 444

页数：4

共 5 条

[1] HIGH-FIELD AL-27 NUCLEAR MAGNETIC-RESONANCE INVESTIGATIONS OF SODIUM ALUMINATE SOLUTIONS
AKITT, JW
GESSNER, W
WEINBERGER, M
[J]. MAGNETIC RESONANCE IN CHEMISTRY, 1988, 26 (12) : 1047 - 1050
[2] CRYSTAL STRUCTURE OF POTASSIUM ALUMINATE K2[A12O(OH)6]
JOHANSSON, G
[J]. ACTA CHEMICA SCANDINAVICA, 1966, 20 (02): : 505 - +
[3] THE RAMAN SPECTRA AND STRUCTURES OF ALUMINATE AND ZINCATE IONS
LIPPINCOTT, ER
PSELLOS, JA
TOBIN, MC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1952, 20 (03): : 536 - 536
[4] MOOLENAAR RJ, 1970, J PHYS CHEM-US, V74, P3269
[5] TAICHI S, 1970, Z ANORG ALLG CHEM, V376, P205

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