摘要
苯甲酸及其衍生物的标准生成焓与取代基的初级效应，次级效应和障碍点有关，本文建立了计算苯甲酸甲基衍生物的新模型，计算值与实验值相吻合，然后用该模型估算了氯代二苯并呋喃及其衍生物的气相标准生成焓。
The standard enthalpies of formation of benzoic acid and its methyl substituting deriva- tives are related to the primary effect,secondary effect and the barrier point of the substituting group. We have calculated the gas phase standard enthalpies of formation of the compounds. The values are well consistent with the experiment. Then the gas phase standard enthalpies of formation of the chloro- dibenzofuran and its eighty six derivatives have been estimated.
出处
《武汉大学学报（自然科学版）》
CSCD
1993年第5期71-78,共8页
Journal of Wuhan University(Natural Science Edition)
关键词
共价化合物
热力学性质
结构
primary and secondary effect of the substituent
barrier point
gas phase standard enthalpy of formation
benzoic acid and its derivatives
chloro-dibenzofuran and its derivatives
