Group definition in molecular solution theories by quantum mechanical methods: application to 1-alkanol + n-alkane mixtures

Article Abstract:

A group definition criterion based on Bader's theory of atoms in molecules is used to characterize functional group in 1-alkanols. The experimental study of the thermophysical properties of liquid mixtures containing organic compounds has aroused a high interest in recent times on account of their impact on industry and technology.

Basic Chemical Manufacturing, Industrial Organic Chemicals, Organic Chemicals, Usage, Quantum theory, Quantum mechanics, Organic compounds, Alkanes, Atomic properties

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Characterization of crystalline and solution phases of diglyme-LiSbF6

Article Abstract:

The complexes of lithium hexafluoroantimonate, LiSbF6, complexed with diethylene glycol dimethyl ether (diglyme), CH30 (CH2CH2O) 2 CH3 are investigated. The crystal structure of 2:1 diglyme: LiSbF6 is reported and it is used to gain a deeper insight into diglyme-LiSbF6 solutions.

All Other Basic Organic Chemical Manufacturing, All Other Basic Inorganic Chemical Manufacturing, Industrial organic chemicals, not elsewhere classified, Industrial inorganic chemicals, not elsewhere classified, Lithium Compounds, Methyl Ether, Crystal structure, Chemistry, Physical and theoretical, Physical chemistry, Structure

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