物理化学学报2001，Vol.17Issue(5)：448-452,5.
计算多氯代烷烃异构体生成焓的新方法
New Scheme for Calculating the Standard Enthalpies of Formation of Poly-chloro-alkanes
摘要
Abstract
Based on the principle of the sum of inducted polarity vectors proposed by us and its successful applications in explanations of the stabilities of isomers and design of a new scheme for calculation of the enthalpies of formation of alkanes, we have designed a new scheme with 5 parameters for the calculation of the standard enthalpies of formation of poly-chloro-alkanes. Compared with the Group Additivity Scheme with 9 parameters, this new scheme has a higher calculation accuracy(its prediction errors are even lower than the experimental deviations). This new scheme contains less parameters and thus can be extended to calculate theoretically the standard enthalpies of formation of alkane derivatives with some different hetero atoms on a carbon atom.关键词
标准生成焓/诱导极性叠加/氯代烷烃分类
化学化工引用本文复制引用
郑康成,张仲钦,沈勇,云逢存..计算多氯代烷烃异构体生成焓的新方法[J].物理化学学报,2001,17(5):448-452,5.
