儿茶素休克尔分子轨道模型及其热力学平衡常数的研究

食品科学 ›› 2004, Vol. 25 ›› Issue (1): 66-68.

儿茶素休克尔分子轨道模型及其热力学平衡常数的研究

刘宗林, 彭义交, 姜慧

北京市食品研究所，中国农业大学食品科学与营养工程学院

出版日期:2004-01-15 发布日期:2011-10-24

Study on Hückel Molecular Orbital Model and Thermodynamic Equilibrium Constant of Catechin.

LIU Zong-Lin, PENG Yi-Jiao, JIANG Hui

1.Beijing Food Research Institue;2.College of Food Science and Nutrition Engineering,China Agricultural Univerisity

Online:2004-01-15 Published:2011-10-24

摘要/Abstract

摘要： 儿茶素属于多酚类的一种,其中以茶叶的含量最多。它是由四种异构体组成,运用休克尔分子图形理论对其分子轨道进行设计,并且根据分子微扰理论求出相应波函数及本征值,并根据本征值推出其热力学平衡常数。

关键词: 休克尔分子轨道, 分子微扰理论, 波函数, 本征值, 热力学平衡常数

Abstract: The catechin is one kind of polyphenol. It is made up of four isomers. Its’ molecular orbital was designed accordingto Hückel molecular graph theory and the wave function and characteristic values were obtained by using molecular orbitalperturbacion theory. Based on the date the thermodynamic equilibrium constant was resulted.

Key words: Hückel molecular orbital, molecular orbital perturbaciow theory, wave function, characteristic value, thermodynamic equilibrium constant

刘宗林, 彭义交, 姜慧. 儿茶素休克尔分子轨道模型及其热力学平衡常数的研究[J]. 食品科学, 2004, 25(1): 66-68.

LIU Zong-Lin, PENG Yi-Jiao, JIANG Hui. Study on Hückel Molecular Orbital Model and Thermodynamic Equilibrium Constant of Catechin.[J]. FOOD SCIENCE, 2004, 25(1): 66-68.

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