共价化合物的热力学性质与结构的关系——Ⅰ.苯甲酸和氯代二苯并呋喃及其衍生物的气相标准生成焓

共价化合物的热力学性质与结构的关系——Ⅰ.苯甲酸和氯代二苯并呋喃及其衍生物的气相标准生成焓 RELATION BETWEEN THERMODYNAMIC PROPERTIES AND STRUCTURE OF COVALENT COMPOUNDS Ⅰ.Gas Phase Standard Enthalpies of Formation of Benzoic Acid,Chlorodibenzo-furan and Their Derivatives 罗明道 Luo Mingdao Li Liangchao Yan Xiaoci Qu Songsheng Xu Lanying 1 first-author 李良超 1 颜肖慈 1 屈松生 1 许兰英 1 武汉大学化学系 武汉大学化学系 Department of Chemistry, Wuhan University Department of Chemistry, Wuhan University 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. 取代基的初级效应 次级效应 苯甲酸及其衍生物 氯代二苯并呋喃及其衍生物 气相标准生成焓 障碍点 O641 1993-05-01 2021-04-01 5