摘要
用INDO系列方法对双笼化合物C120NH进行了理论研究,并预测C120NH的形成缓解了C60NH中亚胺基三元环处的角张力,从而较稳定;两碳笼直接键连使其相互间有较弱的相互作用,N仍具有较强的捕获质子能力,且有一定选择性;C120NH的电子光谱与母体C60及C120O和C120CH2相似.
The double cage compound C 120 NH was studied by INDO series. The results suggested that the formation of C 120 NH reduce the angle constraint at the three membered ring of imino in C 60 NH, thereby, the C 120 NH is stable. The direct connection of the two C 60 cages rendered the two cages interact weakly each other. N atom also has a relatively strong capability of capturing the proton, and has somewhat selectivity. The spectra of C 120 NH was analogous to those of parent C 60 and its isoelectronic dimer C 120 O and C 120 CH 2.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1998年第10期1627-1631,共5页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
国家教育委员会博士点专项基金
吉林大学超分子结构及谱学开放实验室资助