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