An attempt is made to maximize the solar energy storage in norbornadiene (1)/quadricyclane (2) system, through exchanging of heteroatoms at C₇ of 1 and 2; calculating the corresponding energies at MP2/6-311++G(3df,2p)//B3LYP/6-311++G(3df,2p) and B3LYP/6-311++G** levels of theory. Free energy gaps between 1 _X and 2 _X, δG_(1x)-(2x), and solar energy storage is the most for 1 _Se, 1 _As and 1 _Al from group VIII, VII and III of the Table, respectively.

中文翻译：

---

降冰片二烯-四环烷体系在C 7处的杂原子效应，可最大程度地利用太阳能：DFT计算

试图最大限度地降冰片二烯太阳能存储（1）/四环烷烃（2）系统中，通过位于C杂交换₇的1和2 ; 计算理论上的MP2 / 6-311 ++ G（3df，2p）// B3LYP / 6-311 ++ G（3df，2p）和B3LYP / 6-311 ++ G **的相应能量。表中第VIII，VII和III组的1 _Se，1 _As和1 _Al的自由能隙分别为1 _X和2 _X，δG _{（1x）-（2x）}和太阳能存储最多。