论文部分内容阅读
用INDO系列方法对双笼亚甲基化合物C_(120)CH_2进行了理论研究:C_(120)CH_2的形成缓解了C_(60)·CH_2中亚甲基处三元环的角张力,从而较稳定.两碳笼的直接键连使两碳笼间有较弱的相互作用.C_(120)CH_2的电子光谱与母体C_(60)及其单加成产物相似.
The molecular structure of C_ (120) CH_2 was studied by using the INDO series method. The formation of C_ (120) CH_2 relieved the angular tension of the ternary ring at the methylene site in C_ (60) · CH_2, The direct bond between the two carbon cages makes the interaction between the two carbon cages weak.The electronic spectrum of C_ (120) CH_2 is similar to the parent C_ (60) and its monoadduct.