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Connection between Physical Properties in Homologous Series of Molecular Systems 被引量:1
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作者 dolomatov michail yurievich dezortsev sergey vladislavovich 《Journal of Chemistry and Chemical Engineering》 2013年第6期566-572,共7页
The connections between different physical-chemical properties in homologous molecular series are analyzed from the quantum-mechanic and the algebraic theory points of view and are explained by influence of the gage t... The connections between different physical-chemical properties in homologous molecular series are analyzed from the quantum-mechanic and the algebraic theory points of view and are explained by influence of the gage to the quantum electronic continuum. The connection between quantum and macroscopic properties of the substances is confirmed in homologous series of n-alkanes. Linear correlation between the coefficient of magnetization and energy of the highest occupied molecular orbital in homologous series of n-alkanes C2-C10 is established. The connection between diamagnetic and electronic characteristics of n-alkanes with the temperatures of the first order phase transitions (melting point) and other physical-chemical properties were discovered. The nature of interconnection between critical and diamagnetic properties of n-alkanes C2-C10 and results of previous works allow to suppose significant role of the spin interactions in electronic continuum states along the process of the first order phase transitions. 展开更多
关键词 N-ALKANES electronic structure physical-chemical properties band gap width first order phase transitions coefficient ofmagnetization.
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