Figure 4. Diagram of spin switching character of C20F20@K@C20F20@K@C20F20.
Therefore, applying an OEEF of 111 × 10-4 or -120 × 10-4 au in the x-axis direction of field-free triplet C20F20@K@C20F20@K@C20F20can reduce two single-excess-electrons (triplet state) moving to the end-one (1 or 3 ) and changing into lone pair of excess electrons (singlet state). Subsequently, the field-free triplet C20F20@K@C20F20@K@C20F20changing into electrified singlet one. And then, releasing the OEEF can result in the movement of lone pair of excess electrons from end cage (1 or 3 ) to middle one (2 , see Figure 4) and the electrified singlet C20F20@K@C20F20@K@C20F20with lone pair of excess electrons inside end cage (1 or3 ) changing into field-free singlet one with that inside middle cage (2 ). That is to say, applying a suitable OEEF firstly and then releasing it, the field-free triplet C20F20@K@C20F20@K@C20F20with two single-excess-electrons individually inside left cage (1 ) and middle cage (2 ) can change into singlet C20F20@K@C20F20@K@C20F20with lone pair of excess electrons inside middle cage (2 ).
Electronic Absorption Spectra