For citation:
Monakhova Y. B., Mushtakova S. P. A Quantum-Chemical Investigation of Water – Monatomic Alcohols System. Izvestiya of Saratov University. Chemistry. Biology. Ecology, 2006, vol. 6, iss. 1, pp. 14-18.
A Quantum-Chemical Investigation of Water – Monatomic Alcohols System
A quantum-chemical calculation of characteristics of aliphatic alcohols and water molecules as well as their compounds is carried out. It's shown that these substances are the strongly associated liquids of definite structure. The structure of water-alcohol associates with different ratios of components is considered. The correlation of properties depending on the length of hydrocarbon radical is revealed. The linear dependence of iodine solubility on maximums of interlayer distance is established. The straight-line equations are used for theoretical estimation of iodine solubility in aliphatic alcohols.
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