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用ＩＮＤＯ系列方法研究双笼氧化物Ｃ１２０Ｏ２分子可能异构体的结构，两个氧以桥键形式分别加成到两个碳笼上，在两个碳笼中间形成呋喃型五元环结构，有６／６连接和６／５连接两种Ｃ２ｖ构型．计算表明，Ｃ１２０Ｏ２两种构型中６／６连接的Ｃ２ｖ构型更稳定，其光谱与实验值相符．双笼氧化物Ｃ１２０Ｏ２的形成既缓解了Ｃ６０Ｏ环氧处的角张力，又比Ｃ１２０Ｏ分子获得了更强的笼间相互作用，两个Ｃ６０靠两个呋喃型五元环连接在一起．两个碳笼的多位置直接键连使两碳笼距离较近，有较强的相互作用，但仍各自表现出一定的独立性．Ｃ１２０Ｏ２可发生分解生成新的化合物
INDO series of methods to study the molecular structure of the double cage oxide C120O2 molecular isomers, two oxygen bridged form were added to two carbon cage in the two carbon cage furan-type five-membered ring structure, there are 6/6 connections and 6/5 connections Two C2v configurations. Calculations show that the C2v configuration of the 6/6 junction in both C120O2 configurations is more stable and the spectrum is consistent with the experimental data. The formation of double cage oxide C120O2 not only relieved the angular tension at C60O epoxy, but also obtained stronger cage interaction than that of C120O. The two C60s were connected by two furan five-membered rings. The direct bonding of the two carbon cages with multiple positions makes the two cages closer and has stronger interaction, but each still shows some independence. C120O2 can decompose to generate new compounds