键能的分子轨道理论研究Ⅳ.共价化合物稳定性的键能表征

键能的分子轨道理论研究Ⅳ.共价化合物稳定性的键能表征 Molecular Orbital Theory Studies on Bond EnergyⅣ.Bond Energy Characterization of Stability of Covalence Compounds 胡宗球 HU Zong qiu 1 1 2 3 first-author 陈琼 CHEN Qiong 2 1 2 3 湖北师范学院化学系,黄石,435002 湖北师范学院化学系,黄石,435002 Department of Chemistry,Hubei Normal University Department of Chemistry,Hubei Normal University 武汉大学化学与环境科学学院,武汉,430072 武汉大学化学与环境科学学院,武汉,430072 College of Chemistry and Environment Science,Wuhan University College of Chemistry and Environment Science,Wuhan University 湖北师范学院化学系!黄石435002武汉大学化学与环境科学学院,武汉,430072 湖北师范学院化学系!黄石435002武汉大学化学与环境科学学院,武汉,430072 按求键能 Ｅ Ａ Ｂ的方法，对键能与共价化合物稳定性的关系进行了探讨 结果表明，在 Ｉ Ｅ Ｈ Ｍ 计算的水平上，键能 Ｅ Ａ Ｂ小于２５ ｅ Ｖ 的键是不稳定的，而大于７ ｅ Ｖ 的键则特别稳定因此通过计算键能 Ｅ Ａ Ｂ，可推测共价物质的稳定性 The relationship between bond energy E AB and stability of covalence compounds bave been studied,according to the method of calculating bond energy.The results show that the bond which bond energy E AB is less than 2.5 eV is not stable and the bond which E AB is greater than 7 eV is very stable,by semiempirical IEHM calculation.Then,the stability of covalence compounds can be inferred from bond energy E AB . 键能 共价化合物 稳定性 IEHM bond energy E AB covalence compound stability IEHM O641.12 1999-04-01 2021-04-01 4